1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol

C16H16F2O2 — CID 115524903

IUPAC1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1CC(O)c1ccc(C(F)F)cc1
InChIInChI=1S/C16H16F2O2/c1-20-15-5-3-2-4-13(15)10-14(19)11-6-8-12(9-7-11)16(17)18/h2-9,14,16,19H,10H2,1H3
InChIKeyVNMRDWHGPUGQAY-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.91
Rot. Bonds5

About 1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol

1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol (PubChem CID 115524903) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol
PubChem CID115524903
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1CC(O)c1ccc(C(F)F)cc1
InChIInChI=1S/C16H16F2O2/c1-20-15-5-3-2-4-13(15)10-14(19)11-6-8-12(9-7-11)16(17)18/h2-9,14,16,19H,10H2,1H3
InChIKeyVNMRDWHGPUGQAY-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-(2-methoxyphenyl)ethanol
CID 61088305
1-(4-tert-butylphenyl)-2-(2-methoxyphenyl)ethanol
CID 61089438
1-(3,4-difluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 61089068
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
1-(3,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanol
CID 63016213
1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 55162570
[4-(difluoromethyl)phenyl]-(2-methoxyphenyl)methanol
CID 115525064
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 104793076
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 106695530
1-(4-fluoro-2-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 62790475
4-(2-methoxyphenyl)-1-phenylbutan-1-ol
CID 64513742

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol (CID 115524903) is 1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol is COc1ccccc1CC(O)c1ccc(C(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol?
The InChIKey is VNMRDWHGPUGQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-20-15-5-3-2-4-13(15)10-14(19)11-6-8-12(9-7-11)16(17)18/h2-9,14,16,19H,10H2,1H3.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol?
1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol has a molecular weight of 278.30 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 115524903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).