(1S)-1-(3-methoxyphenyl)-1-phenylethanol

C15H16O2 — CID 29415940

IUPAC(1S)-1-(3-methoxyphenyl)-1-phenylethanol
SMILESCOc1cccc([C@@](C)(O)c2ccccc2)c1
InChIInChI=1S/C15H16O2/c1-15(16,12-7-4-3-5-8-12)13-9-6-10-14(11-13)17-2/h3-11,16H,1-2H3/t15-/m0/s1
InChIKeyWRJXFQWMVZOMDQ-HNNXBMFYSA-N
MW228.29 g/mol
LogP2.95
Rot. Bonds3

About (1S)-1-(3-methoxyphenyl)-1-phenylethanol

(1S)-1-(3-methoxyphenyl)-1-phenylethanol (PubChem CID 29415940) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (1S)-1-(3-methoxyphenyl)-1-phenylethanol.

Molecular Properties

Compound Name(1S)-1-(3-methoxyphenyl)-1-phenylethanol
PubChem CID29415940
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(1S)-1-(3-methoxyphenyl)-1-phenylethanol
SMILESCOc1cccc([C@@](C)(O)c2ccccc2)c1
InChIInChI=1S/C15H16O2/c1-15(16,12-7-4-3-5-8-12)13-9-6-10-14(11-13)17-2/h3-11,16H,1-2H3/t15-/m0/s1
InChIKeyWRJXFQWMVZOMDQ-HNNXBMFYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
1-(3-methoxyphenyl)-1-naphthalen-2-ylethanol
CID 62787792
1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol
CID 62787623
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
methyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate
CID 22408189
1-(3-ethoxyphenyl)-1-phenylethanol
CID 58452058
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
1-(3-cyclopropyloxyphenyl)-1-phenylethanol
CID 114520749
1-(3-methoxyphenyl)-1-quinolin-3-ylethanol
CID 60924847
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol
CID 114601094

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methoxyphenyl)-1-phenylethanol?
The IUPAC name of (1S)-1-(3-methoxyphenyl)-1-phenylethanol (CID 29415940) is (1S)-1-(3-methoxyphenyl)-1-phenylethanol.
What is the SMILES notation for (1S)-1-(3-methoxyphenyl)-1-phenylethanol?
The canonical SMILES for (1S)-1-(3-methoxyphenyl)-1-phenylethanol is COc1cccc([C@@](C)(O)c2ccccc2)c1.
What is the InChIKey of (1S)-1-(3-methoxyphenyl)-1-phenylethanol?
The InChIKey is WRJXFQWMVZOMDQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16O2/c1-15(16,12-7-4-3-5-8-12)13-9-6-10-14(11-13)17-2/h3-11,16H,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-(3-methoxyphenyl)-1-phenylethanol?
(1S)-1-(3-methoxyphenyl)-1-phenylethanol has a molecular weight of 228.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methoxyphenyl)-1-phenylethanol is sourced from PubChem (CID 29415940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).