2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol

C16H16ClFO2 — CID 102867481

IUPAC2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C(O)Cc2cccc(Cl)c2F)ccc1C
InChIInChI=1S/C16H16ClFO2/c1-10-6-7-11(9-15(10)20-2)14(19)8-12-4-3-5-13(17)16(12)18/h3-7,9,14,19H,8H2,1-2H3
InChIKeyWGLPMBASAAVKJN-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.07
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol

2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol (PubChem CID 102867481) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
PubChem CID102867481
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C(O)Cc2cccc(Cl)c2F)ccc1C
InChIInChI=1S/C16H16ClFO2/c1-10-6-7-11(9-15(10)20-2)14(19)8-12-4-3-5-13(17)16(12)18/h3-7,9,14,19H,8H2,1-2H3
InChIKeyWGLPMBASAAVKJN-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 102867508
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239
2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 114977277
2-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081069
1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 55162570
2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115832675
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 82802069
2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 107307527
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 63018668
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115831204
1-(4-bromo-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102856976
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 104793076

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol (CID 102867481) is 2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol is COc1cc(C(O)Cc2cccc(Cl)c2F)ccc1C.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol?
The InChIKey is WGLPMBASAAVKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-10-6-7-11(9-15(10)20-2)14(19)8-12-4-3-5-13(17)16(12)18/h3-7,9,14,19H,8H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol?
2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol has a molecular weight of 294.75 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol is sourced from PubChem (CID 102867481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).