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

C16H17FO3 — CID 63018085

IUPAC1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol
SMILESCOc1cccc(OC)c1C(O)Cc1ccccc1F
InChIInChI=1S/C16H17FO3/c1-19-14-8-5-9-15(20-2)16(14)13(18)10-11-6-3-4-7-12(11)17/h3-9,13,18H,10H2,1-2H3
InChIKeyIDOUBOUUBVSHJX-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.12
Rot. Bonds5

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

1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol (PubChem CID 63018085) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol
PubChem CID63018085
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol
SMILESCOc1cccc(OC)c1C(O)Cc1ccccc1F
InChIInChI=1S/C16H17FO3/c1-19-14-8-5-9-15(20-2)16(14)13(18)10-11-6-3-4-7-12(11)17/h3-9,13,18H,10H2,1-2H3
InChIKeyIDOUBOUUBVSHJX-UHFFFAOYSA-N
XLogP3.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 114981931
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066484
2-(2-fluorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103347996
1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol
CID 146455332
2-(2-fluorophenyl)-1-(4-methoxyphenyl)ethanol
CID 15650401
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832698
1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 61100130
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895079
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 82815536

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol (CID 63018085) is 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol is COc1cccc(OC)c1C(O)Cc1ccccc1F.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol?
The InChIKey is IDOUBOUUBVSHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-19-14-8-5-9-15(20-2)16(14)13(18)10-11-6-3-4-7-12(11)17/h3-9,13,18H,10H2,1-2H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol?
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol has a molecular weight of 276.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol is sourced from PubChem (CID 63018085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).