(3-bromophenyl)-(4-ethoxyphenyl)methanone

C15H13BrO2 — CID 24723180

IUPAC(3-bromophenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C15H13BrO2/c1-2-18-14-8-6-11(7-9-14)15(17)12-4-3-5-13(16)10-12/h3-10H,2H2,1H3
InChIKeyFNOSECIFRMEZTO-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.08
Rot. Bonds4

About (3-bromophenyl)-(4-ethoxyphenyl)methanone

(3-bromophenyl)-(4-ethoxyphenyl)methanone (PubChem CID 24723180) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is (3-bromophenyl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(4-ethoxyphenyl)methanone
PubChem CID24723180
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name(3-bromophenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C15H13BrO2/c1-2-18-14-8-6-11(7-9-14)15(17)12-4-3-5-13(16)10-12/h3-10H,2H2,1H3
InChIKeyFNOSECIFRMEZTO-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone
CID 43338379
[4-[2-(3-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717731
(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62797135
3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925302
[3-(3-bromobenzoyl)phenyl] acetate
CID 24722940
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
methyl 2-bromo-4-(4-ethoxybenzoyl)benzoate
CID 89453280
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931
bromobenzene;3-ethoxybenzoic acid
CID 174626248
(4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone
CID 25178443
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723
[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
CID 22494542

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (3-bromophenyl)-(4-ethoxyphenyl)methanone (CID 24723180) is (3-bromophenyl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (3-bromophenyl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (3-bromophenyl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of (3-bromophenyl)-(4-ethoxyphenyl)methanone?
The InChIKey is FNOSECIFRMEZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-2-18-14-8-6-11(7-9-14)15(17)12-4-3-5-13(16)10-12/h3-10H,2H2,1H3.
What are the key properties of (3-bromophenyl)-(4-ethoxyphenyl)methanone?
(3-bromophenyl)-(4-ethoxyphenyl)methanone has a molecular weight of 305.17 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 24723180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).