1-(4-chloro-3-methoxyphenyl)-1-phenylethanol

C15H15ClO2 — CID 79711700

IUPAC1-(4-chloro-3-methoxyphenyl)-1-phenylethanol
SMILESCOc1cc(C(C)(O)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H15ClO2/c1-15(17,11-6-4-3-5-7-11)12-8-9-13(16)14(10-12)18-2/h3-10,17H,1-2H3
InChIKeyNCFGTLDPPGTBEJ-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.60
Rot. Bonds3

About 1-(4-chloro-3-methoxyphenyl)-1-phenylethanol

1-(4-chloro-3-methoxyphenyl)-1-phenylethanol (PubChem CID 79711700) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-1-phenylethanol.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-1-phenylethanol
PubChem CID79711700
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name1-(4-chloro-3-methoxyphenyl)-1-phenylethanol
SMILESCOc1cc(C(C)(O)c2ccccc2)ccc1Cl
InChIInChI=1S/C15H15ClO2/c1-15(17,11-6-4-3-5-7-11)12-8-9-13(16)14(10-12)18-2/h3-10,17H,1-2H3
InChIKeyNCFGTLDPPGTBEJ-UHFFFAOYSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethoxyphenyl)-1-phenylethanol
CID 55116125
2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine
CID 112566367
1-(4-bromo-3-chlorophenyl)-1-phenylethanol
CID 66915599
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid
CID 79712096
1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol
CID 62787623
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62787268
1-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 62788494
2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol
CID 104656196
2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide
CID 107621841
1-(2,5-dichlorophenyl)-1-phenylethanol
CID 62786924

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-1-phenylethanol?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-1-phenylethanol (CID 79711700) is 1-(4-chloro-3-methoxyphenyl)-1-phenylethanol.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-1-phenylethanol?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-1-phenylethanol is COc1cc(C(C)(O)c2ccccc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-1-phenylethanol?
The InChIKey is NCFGTLDPPGTBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c1-15(17,11-6-4-3-5-7-11)12-8-9-13(16)14(10-12)18-2/h3-10,17H,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-1-phenylethanol?
1-(4-chloro-3-methoxyphenyl)-1-phenylethanol has a molecular weight of 262.74 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-1-phenylethanol is sourced from PubChem (CID 79711700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).