1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol

C17H19ClO2 — CID 63018032

IUPAC1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
SMILESCOc1cc(Cl)ccc1C(O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H19ClO2/c1-11-4-5-13(8-12(11)2)9-16(19)15-7-6-14(18)10-17(15)20-3/h4-8,10,16,19H,9H2,1-3H3
InChIKeyJWWLJAVGZSSMCZ-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.24
Rot. Bonds4

About 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol

1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol (PubChem CID 63018032) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
PubChem CID63018032
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
SMILESCOc1cc(Cl)ccc1C(O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H19ClO2/c1-11-4-5-13(8-12(11)2)9-16(19)15-7-6-14(18)10-17(15)20-3/h4-8,10,16,19H,9H2,1-3H3
InChIKeyJWWLJAVGZSSMCZ-UHFFFAOYSA-N
XLogP4.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-4-chloro-2-methoxybenzene
CID 63542728
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
1-(2,4-dimethoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 62537327
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115370058
1-(4-chloro-2-methoxyphenyl)-2-phenylethanol
CID 63017540
1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803420
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
2-(2-amino-4-pyridinyl)-1-(4-chloro-2-methoxyphenyl)ethanol
CID 106819367
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63428538
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115484564
(3S)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 96804173

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol (CID 63018032) is 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol is COc1cc(Cl)ccc1C(O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol?
The InChIKey is JWWLJAVGZSSMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-11-4-5-13(8-12(11)2)9-16(19)15-7-6-14(18)10-17(15)20-3/h4-8,10,16,19H,9H2,1-3H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol?
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol has a molecular weight of 290.79 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 63018032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).