3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene

C185H287NO17S — CID 160871635

IUPAC3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene
SMILESC.C.C.C.C.C.C.CCCCC(O)(CCCC)CCc1cccc(OCCC)c1.CCCOc1cccc(CCC(C)(C)O)c1.CCCOc1cccc(CCC(O)(C(C)C)C(C)C)c1.CCCOc1cccc(CCC(O)(CC)CC)c1.CCCOc1cccc(CCC2(O)CCCC2)c1.CCCOc1cccc(CCCC(C)C)c1.CCCOc1cccc(CCCCO)c1.CCCOc1cccc(CCCc2ccccc2)c1.CCCOc1cccc(CCc2ccccc2)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccs2)c1
InChIInChI=1S/C20H34O2.C18H30O2.C18H22O.C17H20O.C16H19NO.C16H24O2.C16H26O2.C15H18OS.C15H24O.C14H22O2.C13H20O2.7CH4/c1-4-7-13-20(21,14-8-5-2)15-12-18-10-9-11-19(17-18)22-16-6-3;1-6-12-20-17-9-7-8-16(13-17)10-11-18(19,14(2)3)15(4)5;1-2-14-19-18-13-7-12-17(15-18)11-6-10-16-8-4-3-5-9-16;1-2-13-18-17-10-6-9-16(14-17)12-11-15-7-4-3-5-8-15;1-2-12-18-16-8-5-6-14(13-16)9-10-15-7-3-4-11-17-15;1-2-12-18-15-7-5-6-14(13-15)8-11-16(17)9-3-4-10-16;1-4-12-18-15-9-7-8-14(13-15)10-11-16(17,5-2)6-3;1-2-10-16-14-6-3-5-13(12-14)8-9-15-7-4-11-17-15;1-4-11-16-15-10-6-9-14(12-15)8-5-7-13(2)3;1-4-10-16-13-7-5-6-12(11-13)8-9-14(2,3)15;1-2-10-15-13-8-5-7-12(11-13)6-3-4-9-14;;;;;;;/h9-11,17,21H,4-8,12-16H2,1-3H3;7-9,13-15,19H,6,10-12H2,1-5H3;3-5,7-9,12-13,15H,2,6,10-11,14H2,1H3;3-10,14H,2,11-13H2,1H3;3-8,11,13H,2,9-10,12H2,1H3;5-7,13,17H,2-4,8-12H2,1H3;7-9,13,17H,4-6,10-12H2,1-3H3;3-7,11-12H,2,8-10H2,1H3;6,9-10,12-13H,4-5,7-8,11H2,1-3H3;5-7,11,15H,4,8-10H2,1-3H3;5,7-8,11,14H,2-4,6,9-10H2,1H3;7*1H4
InChIKeySLVJJPRKJONAQR-UHFFFAOYSA-N
MW2829.39 g/mol
LogP49.41
Rot. Bonds79

About 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene

3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene (PubChem CID 160871635) has the molecular formula C185H287NO17S and a molecular weight of 2829.39 g/mol. Its IUPAC name is 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene.

Molecular Properties

Compound Name3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene
PubChem CID160871635
Molecular FormulaC185H287NO17S
Molecular Weight2829.39 g/mol
Exact Mass2827.13
IUPAC Name3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene
SMILESC.C.C.C.C.C.C.CCCCC(O)(CCCC)CCc1cccc(OCCC)c1.CCCOc1cccc(CCC(C)(C)O)c1.CCCOc1cccc(CCC(O)(C(C)C)C(C)C)c1.CCCOc1cccc(CCC(O)(CC)CC)c1.CCCOc1cccc(CCC2(O)CCCC2)c1.CCCOc1cccc(CCCC(C)C)c1.CCCOc1cccc(CCCCO)c1.CCCOc1cccc(CCCc2ccccc2)c1.CCCOc1cccc(CCc2ccccc2)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccs2)c1
InChIInChI=1S/C20H34O2.C18H30O2.C18H22O.C17H20O.C16H19NO.C16H24O2.C16H26O2.C15H18OS.C15H24O.C14H22O2.C13H20O2.7CH4/c1-4-7-13-20(21,14-8-5-2)15-12-18-10-9-11-19(17-18)22-16-6-3;1-6-12-20-17-9-7-8-16(13-17)10-11-18(19,14(2)3)15(4)5;1-2-14-19-18-13-7-12-17(15-18)11-6-10-16-8-4-3-5-9-16;1-2-13-18-17-10-6-9-16(14-17)12-11-15-7-4-3-5-8-15;1-2-12-18-16-8-5-6-14(13-16)9-10-15-7-3-4-11-17-15;1-2-12-18-15-7-5-6-14(13-15)8-11-16(17)9-3-4-10-16;1-4-12-18-15-9-7-8-14(13-15)10-11-16(17,5-2)6-3;1-2-10-16-14-6-3-5-13(12-14)8-9-15-7-4-11-17-15;1-4-11-16-15-10-6-9-14(12-15)8-5-7-13(2)3;1-4-10-16-13-7-5-6-12(11-13)8-9-14(2,3)15;1-2-10-15-13-8-5-7-12(11-13)6-3-4-9-14;;;;;;;/h9-11,17,21H,4-8,12-16H2,1-3H3;7-9,13-15,19H,6,10-12H2,1-5H3;3-5,7-9,12-13,15H,2,6,10-11,14H2,1H3;3-10,14H,2,11-13H2,1H3;3-8,11,13H,2,9-10,12H2,1H3;5-7,13,17H,2-4,8-12H2,1H3;7-9,13,17H,4-6,10-12H2,1-3H3;3-7,11-12H,2,8-10H2,1H3;6,9-10,12-13H,4-5,7-8,11H2,1-3H3;5-7,11,15H,4,8-10H2,1-3H3;5,7-8,11,14H,2-4,6,9-10H2,1H3;7*1H4
InChIKeySLVJJPRKJONAQR-UHFFFAOYSA-N
XLogP49.41
TPSA235.80 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds79
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002829.39
LogP ≤ 549.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene?
The IUPAC name of 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene (CID 160871635) is 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene.
What is the SMILES notation for 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene?
The canonical SMILES for 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene is C.C.C.C.C.C.C.CCCCC(O)(CCCC)CCc1cccc(OCCC)c1.CCCOc1cccc(CCC(C)(C)O)c1.CCCOc1cccc(CCC(O)(C(C)C)C(C)C)c1.CCCOc1cccc(CCC(O)(CC)CC)c1.CCCOc1cccc(CCC2(O)CCCC2)c1.CCCOc1cccc(CCCC(C)C)c1.CCCOc1cccc(CCCCO)c1.CCCOc1cccc(CCCc2ccccc2)c1.CCCOc1cccc(CCc2ccccc2)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccs2)c1.
What is the InChIKey of 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene?
The InChIKey is SLVJJPRKJONAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2.C18H30O2.C18H22O.C17H20O.C16H19NO.C16H24O2.C16H26O2.C15H18OS.C15H24O.C14H22O2.C13H20O2.7CH4/c1-4-7-13-20(21,14-8-5-2)15-12-18-10-9-11-19(17-18)22-16-6-3;1-6-12-20-17-9-7-8-16(13-17)10-11-18(19,14(2)3)15(4)5;1-2-14-19-18-13-7-12-17(15-18)11-6-10-16-8-4-3-5-9-16;1-2-13-18-17-10-6-9-16(14-17)12-11-15-7-4-3-5-8-15;1-2-12-18-16-8-5-6-14(13-16)9-10-15-7-3-4-11-17-15;1-2-12-18-15-7-5-6-14(13-15)8-11-16(17)9-3-4-10-16;1-4-12-18-15-9-7-8-14(13-15)10-11-16(17,5-2)6-3;1-2-10-16-14-6-3-5-13(12-14)8-9-15-7-4-11-17-15;1-4-11-16-15-10-6-9-14(12-15)8-5-7-13(2)3;1-4-10-16-13-7-5-6-12(11-13)8-9-14(2,3)15;1-2-10-15-13-8-5-7-12(11-13)6-3-4-9-14;;;;;;;/h9-11,17,21H,4-8,12-16H2,1-3H3;7-9,13-15,19H,6,10-12H2,1-5H3;3-5,7-9,12-13,15H,2,6,10-11,14H2,1H3;3-10,14H,2,11-13H2,1H3;3-8,11,13H,2,9-10,12H2,1H3;5-7,13,17H,2-4,8-12H2,1H3;7-9,13,17H,4-6,10-12H2,1-3H3;3-7,11-12H,2,8-10H2,1H3;6,9-10,12-13H,4-5,7-8,11H2,1-3H3;5-7,11,15H,4,8-10H2,1-3H3;5,7-8,11,14H,2-4,6,9-10H2,1H3;7*1H4.
What are the key properties of 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene?
3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene has a molecular weight of 2829.39 g/mol, XLogP of 49.41, 79 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene is sourced from PubChem (CID 160871635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).