(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone

C14H9Br2ClO2 — CID 107944607

IUPAC(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(Br)cc2Br)ccc1Cl
InChIInChI=1S/C14H9Br2ClO2/c1-19-13-6-8(2-5-12(13)17)14(18)10-4-3-9(15)7-11(10)16/h2-7H,1H3
InChIKeyCWNPRUCPYRABRU-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.10
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone

(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone (PubChem CID 107944607) has the molecular formula C14H9Br2ClO2 and a molecular weight of 404.49 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
PubChem CID107944607
Molecular FormulaC14H9Br2ClO2
Molecular Weight404.49 g/mol
Exact Mass401.87
IUPAC Name(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(Br)cc2Br)ccc1Cl
InChIInChI=1S/C14H9Br2ClO2/c1-19-13-6-8(2-5-12(13)17)14(18)10-4-3-9(15)7-11(10)16/h2-7H,1H3
InChIKeyCWNPRUCPYRABRU-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-4-(1-bromoethyl)phenyl]-(4-chloro-3-methoxyphenyl)methanone
CID 146252011
(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107987119
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 82809769
(4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 115781775
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 107998395
(4-bromo-2-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43805127
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone
CID 43805084
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone
CID 115565794
(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 115781783

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone (CID 107944607) is (4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone is COc1cc(C(=O)c2ccc(Br)cc2Br)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone?
The InChIKey is CWNPRUCPYRABRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2ClO2/c1-19-13-6-8(2-5-12(13)17)14(18)10-4-3-9(15)7-11(10)16/h2-7H,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone?
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone has a molecular weight of 404.49 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone is sourced from PubChem (CID 107944607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).