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

C14H9BrClFO2 — CID 82809769

IUPAC(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(F)c(Br)c2)ccc1Cl
InChIInChI=1S/C14H9BrClFO2/c1-19-13-7-9(2-4-11(13)16)14(18)8-3-5-12(17)10(15)6-8/h2-7H,1H3
InChIKeyLIXPNMYGRWHDNJ-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.48
Rot. Bonds3

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

(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone (PubChem CID 82809769) has the molecular formula C14H9BrClFO2 and a molecular weight of 343.58 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
PubChem CID82809769
Molecular FormulaC14H9BrClFO2
Molecular Weight343.58 g/mol
Exact Mass341.95
IUPAC Name(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(F)c(Br)c2)ccc1Cl
InChIInChI=1S/C14H9BrClFO2/c1-19-13-7-9(2-4-11(13)16)14(18)8-3-5-12(17)10(15)6-8/h2-7H,1H3
InChIKeyLIXPNMYGRWHDNJ-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

(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 115781775
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
CID 79699081
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 115781836
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone
CID 103394161
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 107998395
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone
CID 82873343

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone (CID 82809769) is (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone is COc1cc(C(=O)c2ccc(F)c(Br)c2)ccc1Cl.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone?
The InChIKey is LIXPNMYGRWHDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO2/c1-19-13-7-9(2-4-11(13)16)14(18)8-3-5-12(17)10(15)6-8/h2-7H,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone?
(3-bromo-4-fluorophenyl)-(4-chloro-3-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-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone is sourced from PubChem (CID 82809769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).