(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone

C15H12ClFO3 — CID 64714149

IUPAC(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2cccc(Cl)c2F)c1
InChIInChI=1S/C15H12ClFO3/c1-19-9-6-7-13(20-2)11(8-9)15(18)10-4-3-5-12(16)14(10)17/h3-8H,1-2H3
InChIKeyXPTLSPYQJBTQFO-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.73
Rot. Bonds4

About (3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone

(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone (PubChem CID 64714149) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone
PubChem CID64714149
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2cccc(Cl)c2F)c1
InChIInChI=1S/C15H12ClFO3/c1-19-9-6-7-13(20-2)11(8-9)15(18)10-4-3-5-12(16)14(10)17/h3-8H,1-2H3
InChIKeyXPTLSPYQJBTQFO-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

(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
CID 91722818
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
(5-chloro-2-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561116
(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285
(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 114019728
(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
CID 15888023
[5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone
CID 141114249
(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481073
(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
CID 62649157
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone (CID 64714149) is (3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone is COc1ccc(OC)c(C(=O)c2cccc(Cl)c2F)c1.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone?
The InChIKey is XPTLSPYQJBTQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c1-19-9-6-7-13(20-2)11(8-9)15(18)10-4-3-5-12(16)14(10)17/h3-8H,1-2H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone?
(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)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 (3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 64714149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).