1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol

C17H19ClO2 — CID 107103367

IUPAC1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C17H19ClO2/c1-12-15(4-3-5-16(12)18)17(19)11-8-13-6-9-14(20-2)10-7-13/h3-7,9-10,17,19H,8,11H2,1-2H3
InChIKeyFKGVPRGWUDCSFX-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.32
Rot. Bonds5

About 1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol

1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 107103367) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
PubChem CID107103367
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C17H19ClO2/c1-12-15(4-3-5-16(12)18)17(19)11-8-13-6-9-14(20-2)10-7-13/h3-7,9-10,17,19H,8,11H2,1-2H3
InChIKeyFKGVPRGWUDCSFX-UHFFFAOYSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107985716
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1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol
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1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
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1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol
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1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803168
1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107516243
1-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63018440
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 61086865
(3-chloro-2-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 107098735
1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115818086

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol (CID 107103367) is 1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)c2cccc(Cl)c2C)cc1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is FKGVPRGWUDCSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-12-15(4-3-5-16(12)18)17(19)11-8-13-6-9-14(20-2)10-7-13/h3-7,9-10,17,19H,8,11H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol?
1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 290.79 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 107103367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).