2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol

C16H16ClFO2 — CID 103047666

IUPAC2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol
SMILESCOCc1ccccc1C(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H16ClFO2/c1-20-10-11-4-2-3-5-14(11)16(19)9-12-8-13(17)6-7-15(12)18/h2-8,16,19H,9-10H2,1H3
InChIKeyWKPDHPJIQBTRTN-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.90
Rot. Bonds5

About 2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol

2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol (PubChem CID 103047666) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol
PubChem CID103047666
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol
SMILESCOCc1ccccc1C(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H16ClFO2/c1-20-10-11-4-2-3-5-14(11)16(19)9-12-8-13(17)6-7-15(12)18/h2-8,16,19H,9-10H2,1H3
InChIKeyWKPDHPJIQBTRTN-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]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-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047803
1-(5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 55151769
2-methoxy-1-[2-(methoxymethyl)phenyl]ethanol
CID 79567134
1-(2-chlorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 62099435
1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)ethanol
CID 61082200
1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053350
1-(2-chloro-3-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788734
2-(5-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 103048202
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 82802069
2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115788745
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 63083648
2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 115839731

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol (CID 103047666) is 2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol is COCc1ccccc1C(O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol?
The InChIKey is WKPDHPJIQBTRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-20-10-11-4-2-3-5-14(11)16(19)9-12-8-13(17)6-7-15(12)18/h2-8,16,19H,9-10H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol?
2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol has a molecular weight of 294.75 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol is sourced from PubChem (CID 103047666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).