(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone

C17H17BrO2 — CID 104656758

IUPAC(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(C)ccc2C)cc1Br
InChIInChI=1S/C17H17BrO2/c1-4-20-16-8-7-13(10-15(16)18)17(19)14-9-11(2)5-6-12(14)3/h5-10H,4H2,1-3H3
InChIKeyFAAOUUZJUQRCEF-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.70
Rot. Bonds4

About (3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone

(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone (PubChem CID 104656758) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
PubChem CID104656758
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(C)ccc2C)cc1Br
InChIInChI=1S/C17H17BrO2/c1-4-20-16-8-7-13(10-15(16)18)17(19)14-9-11(2)5-6-12(14)3/h5-10H,4H2,1-3H3
InChIKeyFAAOUUZJUQRCEF-UHFFFAOYSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 104656819
(3-bromo-4-ethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104656850
(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096226
(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81110926
(3-amino-2-methylphenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662561
3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 17073866
(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104656941
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 104656857
(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 104656856
(2-amino-4,5-difluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662551

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone (CID 104656758) is (3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone is CCOc1ccc(C(=O)c2cc(C)ccc2C)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone?
The InChIKey is FAAOUUZJUQRCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-4-20-16-8-7-13(10-15(16)18)17(19)14-9-11(2)5-6-12(14)3/h5-10H,4H2,1-3H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone?
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone has a molecular weight of 333.23 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 104656758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).