2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol

C15H14ClFO2 — CID 112813692

IUPAC2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol
SMILESCc1ccc(Cl)c(OCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H14ClFO2/c1-10-2-7-13(16)15(8-10)19-9-14(18)11-3-5-12(17)6-4-11/h2-8,14,18H,9H2,1H3
InChIKeyPPPQVLTXMRBBJR-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.90
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol

2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol (PubChem CID 112813692) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol
PubChem CID112813692
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol
SMILESCc1ccc(Cl)c(OCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H14ClFO2/c1-10-2-7-13(16)15(8-10)19-9-14(18)11-3-5-12(17)6-4-11/h2-8,14,18H,9H2,1H3
InChIKeyPPPQVLTXMRBBJR-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-5-methylphenoxy)-1-(4-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-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 109414138
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 102977758
2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 103975241
1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol
CID 62265767
1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 62265588
4-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)butan-1-one
CID 60642957
2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 117244582
(2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 59761877
1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 66793811
(2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 124625807
1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol
CID 64855761

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol (CID 112813692) is 2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol is Cc1ccc(Cl)c(OCC(O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol?
The InChIKey is PPPQVLTXMRBBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2/c1-10-2-7-13(16)15(8-10)19-9-14(18)11-3-5-12(17)6-4-11/h2-8,14,18H,9H2,1H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol?
2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol has a molecular weight of 280.73 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 112813692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).