1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine

C199H220ClF2N7O8S2 — CID 158851658

IUPAC1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine
SMILESCC(C)c1cc(-c2ccccc2F)cs1.CC(C)c1ccc(OCc2ccccc2)nc1.CC(C)c1cccc(-c2ccc3c(cnn3C)c2)c1.CC(C)c1cccc(-c2ccccc2F)c1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cccc(OCc2cccc(Cl)c2)c1.CC(C)c1ccnc(OCc2ccccc2)c1.COc1ccc(COc2cccc(C(C)C)c2)cc1.COc1ccccc1-c1cccc(C(C)C)c1.COc1ccncc1-c1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1OCc1ccccc1.Cc1ccccc1-c1cccc(C(C)C)c1.Cc1ncc(-c2cccc(C(C)C)c2)s1
InChIInChI=1S/C17H18N2.C17H20O2.C17H20O.C16H17ClO.C16H18O.C16H18.C15H15F.3C15H17NO.C14H15N.C13H13FS.C13H15NS/c1-12(2)13-5-4-6-14(9-13)15-7-8-17-16(10-15)11-18-19(17)3;1-13(2)15-5-4-6-17(11-15)19-12-14-7-9-16(18-3)10-8-14;1-13(2)16-10-9-14(3)17(11-16)18-12-15-7-5-4-6-8-15;1-12(2)14-6-4-8-16(10-14)18-11-13-5-3-7-15(17)9-13;1-12(2)13-7-6-8-14(11-13)15-9-4-5-10-16(15)17-3;1-12(2)14-8-6-9-15(11-14)16-10-5-4-7-13(16)3;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15(14)16;1-11(2)12-5-4-6-13(9-12)14-10-16-8-7-15(14)17-3;1-12(2)14-8-9-16-15(10-14)17-11-13-6-4-3-5-7-13;1-12(2)14-8-9-15(16-10-14)17-11-13-6-4-3-5-7-13;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-9(2)13-7-10(8-15-13)11-5-3-4-6-12(11)14;1-9(2)11-5-4-6-12(7-11)13-8-14-10(3)15-13/h4-12H,1-3H3;4-11,13H,12H2,1-3H3;4-11,13H,12H2,1-3H3;3-10,12H,11H2,1-2H3;4-12H,1-3H3;4-12H,1-3H3;3-11H,1-2H3;4-11H,1-3H3;2*3-10,12H,11H2,1-2H3;3-11H,1-2H3;3-9H,1-2H3;4-9H,1-3H3
InChIKeyIZNIXJBDNQSIOI-UHFFFAOYSA-N
MW2975.57 g/mol
LogP56.63
Rot. Bonds39

About 1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine

1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine (PubChem CID 158851658) has the molecular formula C199H220ClF2N7O8S2 and a molecular weight of 2975.57 g/mol. Its IUPAC name is 1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine.

Molecular Properties

Compound Name1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine
PubChem CID158851658
Molecular FormulaC199H220ClF2N7O8S2
Molecular Weight2975.57 g/mol
Exact Mass2972.61
IUPAC Name1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine
SMILESCC(C)c1cc(-c2ccccc2F)cs1.CC(C)c1ccc(OCc2ccccc2)nc1.CC(C)c1cccc(-c2ccc3c(cnn3C)c2)c1.CC(C)c1cccc(-c2ccccc2F)c1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cccc(OCc2cccc(Cl)c2)c1.CC(C)c1ccnc(OCc2ccccc2)c1.COc1ccc(COc2cccc(C(C)C)c2)cc1.COc1ccccc1-c1cccc(C(C)C)c1.COc1ccncc1-c1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1OCc1ccccc1.Cc1ccccc1-c1cccc(C(C)C)c1.Cc1ncc(-c2cccc(C(C)C)c2)s1
InChIInChI=1S/C17H18N2.C17H20O2.C17H20O.C16H17ClO.C16H18O.C16H18.C15H15F.3C15H17NO.C14H15N.C13H13FS.C13H15NS/c1-12(2)13-5-4-6-14(9-13)15-7-8-17-16(10-15)11-18-19(17)3;1-13(2)15-5-4-6-17(11-15)19-12-14-7-9-16(18-3)10-8-14;1-13(2)16-10-9-14(3)17(11-16)18-12-15-7-5-4-6-8-15;1-12(2)14-6-4-8-16(10-14)18-11-13-5-3-7-15(17)9-13;1-12(2)13-7-6-8-14(11-13)15-9-4-5-10-16(15)17-3;1-12(2)14-8-6-9-15(11-14)16-10-5-4-7-13(16)3;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15(14)16;1-11(2)12-5-4-6-13(9-12)14-10-16-8-7-15(14)17-3;1-12(2)14-8-9-16-15(10-14)17-11-13-6-4-3-5-7-13;1-12(2)14-8-9-15(16-10-14)17-11-13-6-4-3-5-7-13;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-9(2)13-7-10(8-15-13)11-5-3-4-6-12(11)14;1-9(2)11-5-4-6-12(7-11)13-8-14-10(3)15-13/h4-12H,1-3H3;4-11,13H,12H2,1-3H3;4-11,13H,12H2,1-3H3;3-10,12H,11H2,1-2H3;4-12H,1-3H3;4-12H,1-3H3;3-11H,1-2H3;4-11H,1-3H3;2*3-10,12H,11H2,1-2H3;3-11H,1-2H3;3-9H,1-2H3;4-9H,1-3H3
InChIKeyIZNIXJBDNQSIOI-UHFFFAOYSA-N
XLogP56.63
TPSA156.11 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds39
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002975.57
LogP ≤ 556.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine?
The IUPAC name of 1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine (CID 158851658) is 1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine.
What is the SMILES notation for 1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine?
The canonical SMILES for 1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine is CC(C)c1cc(-c2ccccc2F)cs1.CC(C)c1ccc(OCc2ccccc2)nc1.CC(C)c1cccc(-c2ccc3c(cnn3C)c2)c1.CC(C)c1cccc(-c2ccccc2F)c1.CC(C)c1cccc(-c2ccncc2)c1.CC(C)c1cccc(OCc2cccc(Cl)c2)c1.CC(C)c1ccnc(OCc2ccccc2)c1.COc1ccc(COc2cccc(C(C)C)c2)cc1.COc1ccccc1-c1cccc(C(C)C)c1.COc1ccncc1-c1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1OCc1ccccc1.Cc1ccccc1-c1cccc(C(C)C)c1.Cc1ncc(-c2cccc(C(C)C)c2)s1.
What is the InChIKey of 1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine?
The InChIKey is IZNIXJBDNQSIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2.C17H20O2.C17H20O.C16H17ClO.C16H18O.C16H18.C15H15F.3C15H17NO.C14H15N.C13H13FS.C13H15NS/c1-12(2)13-5-4-6-14(9-13)15-7-8-17-16(10-15)11-18-19(17)3;1-13(2)15-5-4-6-17(11-15)19-12-14-7-9-16(18-3)10-8-14;1-13(2)16-10-9-14(3)17(11-16)18-12-15-7-5-4-6-8-15;1-12(2)14-6-4-8-16(10-14)18-11-13-5-3-7-15(17)9-13;1-12(2)13-7-6-8-14(11-13)15-9-4-5-10-16(15)17-3;1-12(2)14-8-6-9-15(11-14)16-10-5-4-7-13(16)3;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15(14)16;1-11(2)12-5-4-6-13(9-12)14-10-16-8-7-15(14)17-3;1-12(2)14-8-9-16-15(10-14)17-11-13-6-4-3-5-7-13;1-12(2)14-8-9-15(16-10-14)17-11-13-6-4-3-5-7-13;1-11(2)13-4-3-5-14(10-13)12-6-8-15-9-7-12;1-9(2)13-7-10(8-15-13)11-5-3-4-6-12(11)14;1-9(2)11-5-4-6-12(7-11)13-8-14-10(3)15-13/h4-12H,1-3H3;4-11,13H,12H2,1-3H3;4-11,13H,12H2,1-3H3;3-10,12H,11H2,1-2H3;4-12H,1-3H3;4-12H,1-3H3;3-11H,1-2H3;4-11H,1-3H3;2*3-10,12H,11H2,1-2H3;3-11H,1-2H3;3-9H,1-2H3;4-9H,1-3H3.
What are the key properties of 1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine?
1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine has a molecular weight of 2975.57 g/mol, XLogP of 56.63, 39 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(3-propan-2-ylphenoxy)methyl]benzene;4-(2-fluorophenyl)-2-propan-2-ylthiophene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-methoxy-4-[(3-propan-2-ylphenoxy)methyl]benzene;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine is sourced from PubChem (CID 158851658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).