(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone

C15H12ClFO3 — CID 112694008

IUPAC(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(Cl)ccc2OC)ccc1F
InChIInChI=1S/C15H12ClFO3/c1-19-13-6-4-10(16)8-11(13)15(18)9-3-5-12(17)14(7-9)20-2/h3-8H,1-2H3
InChIKeyDNTLXUJHVJHWKV-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.73
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone

(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone (PubChem CID 112694008) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
PubChem CID112694008
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(Cl)ccc2OC)ccc1F
InChIInChI=1S/C15H12ClFO3/c1-19-13-6-4-10(16)8-11(13)15(18)9-3-5-12(17)14(7-9)20-2/h3-8H,1-2H3
InChIKeyDNTLXUJHVJHWKV-UHFFFAOYSA-N
XLogP3.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone
CID 43338022
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339575
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107987119
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone (CID 112694008) is (5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone is COc1cc(C(=O)c2cc(Cl)ccc2OC)ccc1F.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone?
The InChIKey is DNTLXUJHVJHWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c1-19-13-6-4-10(16)8-11(13)15(18)9-3-5-12(17)14(7-9)20-2/h3-8H,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone?
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone has a molecular weight of 294.71 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 112694008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).