2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol

C14H12ClFO2 — CID 71236598

IUPAC2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
SMILESOCCc1ccc(Oc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H12ClFO2/c15-13-9-12(5-6-14(13)16)18-11-3-1-10(2-4-11)7-8-17/h1-6,9,17H,7-8H2
InChIKeyDYSZLKJUUWMETL-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.81
Rot. Bonds4

About 2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol

2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol (PubChem CID 71236598) has the molecular formula C14H12ClFO2 and a molecular weight of 266.70 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
PubChem CID71236598
Molecular FormulaC14H12ClFO2
Molecular Weight266.70 g/mol
Exact Mass266.05
IUPAC Name2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
SMILESOCCc1ccc(Oc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H12ClFO2/c15-13-9-12(5-6-14(13)16)18-11-3-1-10(2-4-11)7-8-17/h1-6,9,17H,7-8H2
InChIKeyDYSZLKJUUWMETL-UHFFFAOYSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(3-chloro-4-fluorophenoxy)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

2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 66825529
2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533476
4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798
2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol
CID 107708372
2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene
CID 63879344
2-[4-(4,6-diamino-3-chloro-2-fluorophenoxy)phenyl]ethanol
CID 107708483
4-[2-(3-chloro-4-fluorophenoxy)ethyl]aniline
CID 55258225
4-chloro-2-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709587
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107708789
[5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine
CID 113469610
2-bromo-1-(bromomethyl)-4-(3-chloro-4-fluorophenoxy)benzene
CID 114060640

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol (CID 71236598) is 2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol is OCCc1ccc(Oc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol?
The InChIKey is DYSZLKJUUWMETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO2/c15-13-9-12(5-6-14(13)16)18-11-3-1-10(2-4-11)7-8-17/h1-6,9,17H,7-8H2.
What are the key properties of 2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol?
2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol has a molecular weight of 266.70 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenoxy)phenyl]ethanol is sourced from PubChem (CID 71236598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).