(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone

C16H14BrClO2 — CID 115368800

IUPAC(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
SMILESCOc1cc(Br)ccc1C(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C16H14BrClO2/c1-9-7-14(18)10(2)6-13(9)16(19)12-5-4-11(17)8-15(12)20-3/h4-8H,1-3H3
InChIKeyYECPSRCHKUKBSZ-UHFFFAOYSA-N
MW353.64 g/mol
LogP4.96
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone

(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone (PubChem CID 115368800) has the molecular formula C16H14BrClO2 and a molecular weight of 353.64 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
PubChem CID115368800
Molecular FormulaC16H14BrClO2
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
SMILESCOc1cc(Br)ccc1C(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C16H14BrClO2/c1-9-7-14(18)10(2)6-13(9)16(19)12-5-4-11(17)8-15(12)20-3/h4-8H,1-3H3
InChIKeyYECPSRCHKUKBSZ-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319354
(5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 114032826
(4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 115368721
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone
CID 106764162
4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide
CID 115369155
(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 106860799
(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 114894253
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone
CID 43805084

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone (CID 115368800) is (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone is COc1cc(Br)ccc1C(=O)c1cc(C)c(Cl)cc1C.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone?
The InChIKey is YECPSRCHKUKBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO2/c1-9-7-14(18)10(2)6-13(9)16(19)12-5-4-11(17)8-15(12)20-3/h4-8H,1-3H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone?
(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone has a molecular weight of 353.64 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 115368800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).