2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol

C16H16ClFO3 — CID 103038976

IUPAC2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)cc(C(O)Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H16ClFO3/c1-20-12-7-11(8-13(9-12)21-2)16(19)6-10-3-4-15(18)14(17)5-10/h3-5,7-9,16,19H,6H2,1-2H3
InChIKeyMHQAJVIJLYMOAT-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.77
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol

2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol (PubChem CID 103038976) has the molecular formula C16H16ClFO3 and a molecular weight of 310.75 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
PubChem CID103038976
Molecular FormulaC16H16ClFO3
Molecular Weight310.75 g/mol
Exact Mass310.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)cc(C(O)Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H16ClFO3/c1-20-12-7-11(8-13(9-12)21-2)16(19)6-10-3-4-15(18)14(17)5-10/h3-5,7-9,16,19H,6H2,1-2H3
InChIKeyMHQAJVIJLYMOAT-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

Analyze 2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)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-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine
CID 103039883
1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol
CID 103039553
1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 63016216
2-(3-chloro-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373442
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 81134929
1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 63414664
2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 63047363
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038952
2-chloro-4-[2-(chloromethyl)-3-(3-methoxyphenyl)propyl]-1-fluorobenzene
CID 103042043
2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 63894517
1-(3-chloro-4-fluorophenyl)-4-methylpentan-2-ol
CID 103039007
2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol (CID 103038976) is 2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol is COc1cc(OC)cc(C(O)Cc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol?
The InChIKey is MHQAJVIJLYMOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO3/c1-20-12-7-11(8-13(9-12)21-2)16(19)6-10-3-4-15(18)14(17)5-10/h3-5,7-9,16,19H,6H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol?
2-(3-chloro-4-fluorophenyl)-1-(3,5-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-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 103038976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).