1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone

C15H12ClFO2 — CID 112549927

IUPAC1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2cccc(F)c2Cl)c1
InChIInChI=1S/C15H12ClFO2/c1-10(18)11-4-2-6-13(8-11)19-9-12-5-3-7-14(17)15(12)16/h2-8H,9H2,1H3
InChIKeyYHQJZSSBESVINJ-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.26
Rot. Bonds4

About 1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone

1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone (PubChem CID 112549927) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone
PubChem CID112549927
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2cccc(F)c2Cl)c1
InChIInChI=1S/C15H12ClFO2/c1-10(18)11-4-2-6-13(8-11)19-9-12-5-3-7-14(17)15(12)16/h2-8H,9H2,1H3
InChIKeyYHQJZSSBESVINJ-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone 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-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone
CID 115983474
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
2-[(3-acetylphenoxy)methyl]benzoic acid
CID 43473132
2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene
CID 112652526
1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone
CID 107719291
4-[(2-chloro-3-fluorophenyl)methoxy]phenol
CID 112652557
3-[(2-fluorophenyl)methoxy]-N-methylbenzamide
CID 13176420
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
CID 112652330
2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
CID 105344808
1-[3-(3-chloropropoxy)phenyl]ethanone
CID 14348752
1-[3-[(2-methyl-3-nitrophenyl)methoxy]phenyl]ethanone
CID 43509189

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone (CID 112549927) is 1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone is CC(=O)c1cccc(OCc2cccc(F)c2Cl)c1.
What is the InChIKey of 1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone?
The InChIKey is YHQJZSSBESVINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-10(18)11-4-2-6-13(8-11)19-9-12-5-3-7-14(17)15(12)16/h2-8H,9H2,1H3.
What are the key properties of 1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone?
1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone has a molecular weight of 278.71 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 112549927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).