(2-bromo-4,5-diethoxyphenyl)-phenylmethanone

C17H17BrO3 — CID 43162233

IUPAC(2-bromo-4,5-diethoxyphenyl)-phenylmethanone
SMILESCCOc1cc(Br)c(C(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C17H17BrO3/c1-3-20-15-10-13(14(18)11-16(15)21-4-2)17(19)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKeyBOTQVFQFYZRECT-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.48
Rot. Bonds6

About (2-bromo-4,5-diethoxyphenyl)-phenylmethanone

(2-bromo-4,5-diethoxyphenyl)-phenylmethanone (PubChem CID 43162233) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is (2-bromo-4,5-diethoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-bromo-4,5-diethoxyphenyl)-phenylmethanone
PubChem CID43162233
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name(2-bromo-4,5-diethoxyphenyl)-phenylmethanone
SMILESCCOc1cc(Br)c(C(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C17H17BrO3/c1-3-20-15-10-13(14(18)11-16(15)21-4-2)17(19)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKeyBOTQVFQFYZRECT-UHFFFAOYSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
CID 43340750
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
(4-amino-2-ethoxyphenyl)-phenylmethanone
CID 23323350
4-(2-bromo-4,5-diethoxyphenyl)-4-oxobutanoic acid
CID 43330587
[5-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)methyl]-4-ethoxy-2-hydroxyphenyl]-phenylmethanone
CID 22643675
(2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone
CID 143779063
(2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone
CID 81467462
1-(4-benzoyl-3-ethoxyphenyl)prop-2-en-1-one
CID 90156822
(2-amino-4,5-difluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662551
2-bromo-4-ethoxy-5-fluorobenzoic acid
CID 126980084
(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone
CID 43337653
(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 43161114

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-diethoxyphenyl)-phenylmethanone?
The IUPAC name of (2-bromo-4,5-diethoxyphenyl)-phenylmethanone (CID 43162233) is (2-bromo-4,5-diethoxyphenyl)-phenylmethanone.
What is the SMILES notation for (2-bromo-4,5-diethoxyphenyl)-phenylmethanone?
The canonical SMILES for (2-bromo-4,5-diethoxyphenyl)-phenylmethanone is CCOc1cc(Br)c(C(=O)c2ccccc2)cc1OCC.
What is the InChIKey of (2-bromo-4,5-diethoxyphenyl)-phenylmethanone?
The InChIKey is BOTQVFQFYZRECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-3-20-15-10-13(14(18)11-16(15)21-4-2)17(19)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3.
What are the key properties of (2-bromo-4,5-diethoxyphenyl)-phenylmethanone?
(2-bromo-4,5-diethoxyphenyl)-phenylmethanone has a molecular weight of 349.22 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-diethoxyphenyl)-phenylmethanone is sourced from PubChem (CID 43162233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).