4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole

C131H157Cl3N6O8S2 — CID 160533550

IUPAC4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole
SMILESCC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.CC(C)(C)c1ccc(OCc2nccs2)c(Cl)c1.Cc1cc(C(C)(C)C)ccc1OCc1nccs1.Cc1cc(C(C)(C)C)ccc1Oc1ccccc1.Cc1ccc(Oc2ccc(C(C)(C)C)cc2C)cn1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)c1.Cc1cncc(Oc2ccc(C(C)(C)C)cc2C)c1.Cc1cncc(Oc2ccc(C(C)(C)C)cc2C)c1
InChIInChI=1S/C18H21ClO.3C17H21NO.C17H20O.C16H18ClNO.C15H19NOS.C14H16ClNOS/c1-13-6-5-7-14(10-13)12-20-17-9-8-15(11-16(17)19)18(2,3)4;1-12-10-14(17(3,4)5)7-9-16(12)19-15-8-6-13(2)18-11-15;2*1-12-8-15(11-18-10-12)19-16-7-6-14(9-13(16)2)17(3,4)5;1-13-12-14(17(2,3)4)10-11-16(13)18-15-8-6-5-7-9-15;1-16(2,3)12-7-8-15(14(17)10-12)19-11-13-6-4-5-9-18-13;1-11-9-12(15(2,3)4)5-6-13(11)17-10-14-16-7-8-18-14;1-14(2,3)10-4-5-12(11(15)8-10)17-9-13-16-6-7-18-13/h5-11H,12H2,1-4H3;3*6-11H,1-5H3;5-12H,1-4H3;4-10H,11H2,1-3H3;5-9H,10H2,1-4H3;4-8H,9H2,1-3H3
InChIKeyQVWCFDTVONPVRK-UHFFFAOYSA-N
MW2114.22 g/mol
LogP38.59
Rot. Bonds20

About 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole

4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole (PubChem CID 160533550) has the molecular formula C131H157Cl3N6O8S2 and a molecular weight of 2114.22 g/mol. Its IUPAC name is 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole
PubChem CID160533550
Molecular FormulaC131H157Cl3N6O8S2
Molecular Weight2114.22 g/mol
Exact Mass2111.06
IUPAC Name4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole
SMILESCC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.CC(C)(C)c1ccc(OCc2nccs2)c(Cl)c1.Cc1cc(C(C)(C)C)ccc1OCc1nccs1.Cc1cc(C(C)(C)C)ccc1Oc1ccccc1.Cc1ccc(Oc2ccc(C(C)(C)C)cc2C)cn1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)c1.Cc1cncc(Oc2ccc(C(C)(C)C)cc2C)c1.Cc1cncc(Oc2ccc(C(C)(C)C)cc2C)c1
InChIInChI=1S/C18H21ClO.3C17H21NO.C17H20O.C16H18ClNO.C15H19NOS.C14H16ClNOS/c1-13-6-5-7-14(10-13)12-20-17-9-8-15(11-16(17)19)18(2,3)4;1-12-10-14(17(3,4)5)7-9-16(12)19-15-8-6-13(2)18-11-15;2*1-12-8-15(11-18-10-12)19-16-7-6-14(9-13(16)2)17(3,4)5;1-13-12-14(17(2,3)4)10-11-16(13)18-15-8-6-5-7-9-15;1-16(2,3)12-7-8-15(14(17)10-12)19-11-13-6-4-5-9-18-13;1-11-9-12(15(2,3)4)5-6-13(11)17-10-14-16-7-8-18-14;1-14(2,3)10-4-5-12(11(15)8-10)17-9-13-16-6-7-18-13/h5-11H,12H2,1-4H3;3*6-11H,1-5H3;5-12H,1-4H3;4-10H,11H2,1-3H3;5-9H,10H2,1-4H3;4-8H,9H2,1-3H3
InChIKeyQVWCFDTVONPVRK-UHFFFAOYSA-N
XLogP38.59
TPSA151.18 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002114.22
LogP ≤ 538.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole with MolForge

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Related Compounds

4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-ethynyl-1-fluorobenzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-methyl-1-[(3-methylphenyl)methoxy]benzene
CID 162005368
2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyridine);bis(2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine);formaldehyde
CID 161265183
N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;6-[[(4R,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
CID 159645699
2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methyl-1-oxidopyridin-1-ium;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-6-methylpyrazine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1-oxidopyridin-1-ium;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyrazine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-6-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]pyridine
CID 160506764
2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine
CID 170931613
4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-2-ethynyl-1-[(3-methylphenyl)methoxy]benzene;4-tert-butyl-1-[(3-fluorophenyl)methoxy]-2-methylbenzene
CID 167623827
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine
CID 117441509
N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 81152126
2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine
CID 137421499
2-chloro-1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 3067183
3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid
CID 82051650

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole (CID 160533550) is 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole is CC(C)(C)c1ccc(OCc2ccccn2)c(Cl)c1.CC(C)(C)c1ccc(OCc2nccs2)c(Cl)c1.Cc1cc(C(C)(C)C)ccc1OCc1nccs1.Cc1cc(C(C)(C)C)ccc1Oc1ccccc1.Cc1ccc(Oc2ccc(C(C)(C)C)cc2C)cn1.Cc1cccc(COc2ccc(C(C)(C)C)cc2Cl)c1.Cc1cncc(Oc2ccc(C(C)(C)C)cc2C)c1.Cc1cncc(Oc2ccc(C(C)(C)C)cc2C)c1.
What is the InChIKey of 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole?
The InChIKey is QVWCFDTVONPVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO.3C17H21NO.C17H20O.C16H18ClNO.C15H19NOS.C14H16ClNOS/c1-13-6-5-7-14(10-13)12-20-17-9-8-15(11-16(17)19)18(2,3)4;1-12-10-14(17(3,4)5)7-9-16(12)19-15-8-6-13(2)18-11-15;2*1-12-8-15(11-18-10-12)19-16-7-6-14(9-13(16)2)17(3,4)5;1-13-12-14(17(2,3)4)10-11-16(13)18-15-8-6-5-7-9-15;1-16(2,3)12-7-8-15(14(17)10-12)19-11-13-6-4-5-9-18-13;1-11-9-12(15(2,3)4)5-6-13(11)17-10-14-16-7-8-18-14;1-14(2,3)10-4-5-12(11(15)8-10)17-9-13-16-6-7-18-13/h5-11H,12H2,1-4H3;3*6-11H,1-5H3;5-12H,1-4H3;4-10H,11H2,1-3H3;5-9H,10H2,1-4H3;4-8H,9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole?
4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole has a molecular weight of 2114.22 g/mol, XLogP of 38.59, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chloro-1-[(3-methylphenyl)methoxy]benzene;2-[(4-tert-butyl-2-chlorophenoxy)methyl]pyridine;2-[(4-tert-butyl-2-chlorophenoxy)methyl]-1,3-thiazole;4-tert-butyl-2-methyl-1-phenoxybenzene;bis(3-(4-tert-butyl-2-methylphenoxy)-5-methylpyridine);5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;2-[(4-tert-butyl-2-methylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 160533550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).