(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone

C14H9BrClFO2 — CID 114019728

IUPAC(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc(Br)c2F)c(Cl)c1
InChIInChI=1S/C14H9BrClFO2/c1-19-8-5-6-9(12(16)7-8)14(18)10-3-2-4-11(15)13(10)17/h2-7H,1H3
InChIKeyWNJGSICDZMURFX-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.48
Rot. Bonds3

About (3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone

(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone (PubChem CID 114019728) has the molecular formula C14H9BrClFO2 and a molecular weight of 343.58 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
PubChem CID114019728
Molecular FormulaC14H9BrClFO2
Molecular Weight343.58 g/mol
Exact Mass341.95
IUPAC Name(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc(Br)c2F)c(Cl)c1
InChIInChI=1S/C14H9BrClFO2/c1-19-8-5-6-9(12(16)7-8)14(18)10-3-2-4-11(15)13(10)17/h2-7H,1H3
InChIKeyWNJGSICDZMURFX-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561746
(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone
CID 114020550
(4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561646
(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 107987161
(5-chloro-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561677
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanone
CID 106764172
(4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 82783216
(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 64714149
(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
CID 106647466
(2-chloro-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 113399945
(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone
CID 106647496
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone (CID 114019728) is (3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cccc(Br)c2F)c(Cl)c1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone?
The InChIKey is WNJGSICDZMURFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO2/c1-19-8-5-6-9(12(16)7-8)14(18)10-3-2-4-11(15)13(10)17/h2-7H,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone?
(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone has a molecular weight of 343.58 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone is sourced from PubChem (CID 114019728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).