2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol

C16H16ClFO3 — CID 116810239

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
SMILESCOc1cccc(OC)c1C(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H16ClFO3/c1-20-13-7-4-8-14(21-2)15(13)12(19)9-10-5-3-6-11(17)16(10)18/h3-8,12,19H,9H2,1-2H3
InChIKeyQWURAEURLFSMTF-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.77
Rot. Bonds5

About 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol

2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol (PubChem CID 116810239) has the molecular formula C16H16ClFO3 and a molecular weight of 310.75 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
PubChem CID116810239
Molecular FormulaC16H16ClFO3
Molecular Weight310.75 g/mol
Exact Mass310.08
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
SMILESCOc1cccc(OC)c1C(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H16ClFO3/c1-20-13-7-4-8-14(21-2)15(13)12(19)9-10-5-3-6-11(17)16(10)18/h3-8,12,19H,9H2,1-2H3
InChIKeyQWURAEURLFSMTF-UHFFFAOYSA-N
XLogP3.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 82802615
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 82802069
2-(3-chloro-2-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 102857818
2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 102867481
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 63018085
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
1-(4-chloro-2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832813
2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 114981931
1-(2-bromo-6-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857500
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 102867085
1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-ol
CID 114855035
1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82788489

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol (CID 116810239) is 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol is COc1cccc(OC)c1C(O)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
The InChIKey is QWURAEURLFSMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO3/c1-20-13-7-4-8-14(21-2)15(13)12(19)9-10-5-3-6-11(17)16(10)18/h3-8,12,19H,9H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol has a molecular weight of 310.75 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol is sourced from PubChem (CID 116810239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).