1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone

C15H11Cl2FO2 — CID 102616154

IUPAC1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cc(F)ccc2Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FO2/c1-9(19)10-2-5-15(14(17)7-10)20-8-11-6-12(18)3-4-13(11)16/h2-7H,8H2,1H3
InChIKeyRKSLSTVKLPUCDC-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.91
Rot. Bonds4

About 1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone

1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone (PubChem CID 102616154) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone
PubChem CID102616154
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cc(F)ccc2Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FO2/c1-9(19)10-2-5-15(14(17)7-10)20-8-11-6-12(18)3-4-13(11)16/h2-7H,8H2,1H3
InChIKeyRKSLSTVKLPUCDC-UHFFFAOYSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627011
3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]benzenecarbothioamide
CID 102616119
1-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanone
CID 115610625
3-bromo-4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616213
1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone
CID 107306491
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 60651644
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936
4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxybenzenecarbothioamide
CID 102616116
1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627244
[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
CID 102615201
4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102615075
(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615294

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone (CID 102616154) is 1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2cc(F)ccc2Cl)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone?
The InChIKey is RKSLSTVKLPUCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c1-9(19)10-2-5-15(14(17)7-10)20-8-11-6-12(18)3-4-13(11)16/h2-7H,8H2,1H3.
What are the key properties of 1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone?
1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone has a molecular weight of 313.16 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 102616154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).