(5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone

C16H14BrClO2 — CID 107096153

IUPAC(5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C16H14BrClO2/c1-3-20-15-8-7-11(17)9-13(15)16(19)12-5-4-6-14(18)10(12)2/h4-9H,3H2,1-2H3
InChIKeyPAAXKBGDRCYFCO-UHFFFAOYSA-N
MW353.64 g/mol
LogP5.04
Rot. Bonds4

About (5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone

(5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone (PubChem CID 107096153) has the molecular formula C16H14BrClO2 and a molecular weight of 353.64 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
PubChem CID107096153
Molecular FormulaC16H14BrClO2
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name(5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C16H14BrClO2/c1-3-20-15-8-7-11(17)9-13(15)16(19)12-5-4-6-14(18)10(12)2/h4-9H,3H2,1-2H3
InChIKeyPAAXKBGDRCYFCO-UHFFFAOYSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107096172
(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096226
(2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 25257909
(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone
CID 43311306
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 107874153
(3-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 146005798
4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 17353033
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911
(5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 43463855
(5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 103298335
(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107101821
ethyl 5-bromo-2-(2-ethoxybenzoyl)oxybenzoate
CID 17343270

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone (CID 107096153) is (5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone is CCOc1ccc(Br)cc1C(=O)c1cccc(Cl)c1C.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone?
The InChIKey is PAAXKBGDRCYFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO2/c1-3-20-15-8-7-11(17)9-13(15)16(19)12-5-4-6-14(18)10(12)2/h4-9H,3H2,1-2H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone?
(5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone has a molecular weight of 353.64 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone is sourced from PubChem (CID 107096153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).