1-(4-chloro-2-methoxyphenyl)-2-phenylethanol

C15H15ClO2 — CID 63017540

IUPAC1-(4-chloro-2-methoxyphenyl)-2-phenylethanol
SMILESCOc1cc(Cl)ccc1C(O)Cc1ccccc1
InChIInChI=1S/C15H15ClO2/c1-18-15-10-12(16)7-8-13(15)14(17)9-11-5-3-2-4-6-11/h2-8,10,14,17H,9H2,1H3
InChIKeyXVJSTMACHSFXHQ-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.62
Rot. Bonds4

About 1-(4-chloro-2-methoxyphenyl)-2-phenylethanol

1-(4-chloro-2-methoxyphenyl)-2-phenylethanol (PubChem CID 63017540) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-phenylethanol.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-phenylethanol
PubChem CID63017540
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-phenylethanol
SMILESCOc1cc(Cl)ccc1C(O)Cc1ccccc1
InChIInChI=1S/C15H15ClO2/c1-18-15-10-12(16)7-8-13(15)14(17)9-11-5-3-2-4-6-11/h2-8,10,14,17H,9H2,1H3
InChIKeyXVJSTMACHSFXHQ-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 114978934
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
(3S)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 96804173
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803420
2-(2-amino-4-pyridinyl)-1-(4-chloro-2-methoxyphenyl)ethanol
CID 106819367
1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol
CID 63017859
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 62790115
1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylethanol
CID 55116184
1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol
CID 115802739

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-phenylethanol?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-phenylethanol (CID 63017540) is 1-(4-chloro-2-methoxyphenyl)-2-phenylethanol.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-phenylethanol?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-phenylethanol is COc1cc(Cl)ccc1C(O)Cc1ccccc1.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-phenylethanol?
The InChIKey is XVJSTMACHSFXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c1-18-15-10-12(16)7-8-13(15)14(17)9-11-5-3-2-4-6-11/h2-8,10,14,17H,9H2,1H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-phenylethanol?
1-(4-chloro-2-methoxyphenyl)-2-phenylethanol has a molecular weight of 262.74 g/mol, XLogP of 3.62, 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-phenylethanol is sourced from PubChem (CID 63017540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).