(5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone

C14H10BrClO2 — CID 22328608

IUPAC(5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C14H10BrClO2/c1-18-11-5-2-9(3-6-11)14(17)12-8-10(15)4-7-13(12)16/h2-8H,1H3
InChIKeyNIEQZZXEZYUFMQ-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.34
Rot. Bonds3

About (5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone

(5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone (PubChem CID 22328608) has the molecular formula C14H10BrClO2 and a molecular weight of 325.59 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone
PubChem CID22328608
Molecular FormulaC14H10BrClO2
Molecular Weight325.59 g/mol
Exact Mass323.96
IUPAC Name(5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C14H10BrClO2/c1-18-11-5-2-9(3-6-11)14(17)12-8-10(15)4-7-13(12)16/h2-8H,1H3
InChIKeyNIEQZZXEZYUFMQ-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone (CID 22328608) is (5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(Br)ccc2Cl)cc1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone?
The InChIKey is NIEQZZXEZYUFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO2/c1-18-11-5-2-9(3-6-11)14(17)12-8-10(15)4-7-13(12)16/h2-8H,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone?
(5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone has a molecular weight of 325.59 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 22328608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).