(2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone

C14H13BrO3 — CID 114819681

IUPAC(2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone
SMILESCCOc1ccc(C(=O)c2coc(C)c2)c(Br)c1
InChIInChI=1S/C14H13BrO3/c1-3-17-11-4-5-12(13(15)7-11)14(16)10-6-9(2)18-8-10/h4-8H,3H2,1-2H3
InChIKeyOVIUZPWTBVIGTN-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.98
Rot. Bonds4

About (2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone

(2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone (PubChem CID 114819681) has the molecular formula C14H13BrO3 and a molecular weight of 309.16 g/mol. Its IUPAC name is (2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone
PubChem CID114819681
Molecular FormulaC14H13BrO3
Molecular Weight309.16 g/mol
Exact Mass308.00
IUPAC Name(2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone
SMILESCCOc1ccc(C(=O)c2coc(C)c2)c(Br)c1
InChIInChI=1S/C14H13BrO3/c1-3-17-11-4-5-12(13(15)7-11)14(16)10-6-9(2)18-8-10/h4-8H,3H2,1-2H3
InChIKeyOVIUZPWTBVIGTN-UHFFFAOYSA-N
XLogP3.98
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone
CID 81471764
(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107949965
1-(2-bromo-4-ethoxyphenyl)prop-2-en-1-one
CID 103522548
1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone
CID 81429202
3-bromo-1-(2-bromo-4-ethoxyphenyl)propan-1-one
CID 134624468
2-bromo-N,4-diethoxybenzamide
CID 90850179
(2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone
CID 81454699
1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one
CID 83154667
methyl 2-bromo-4-(4-ethoxybenzoyl)benzoate
CID 89453280
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127
ethyl 2-bromo-4-methoxybenzoate
CID 46311272
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone?
The IUPAC name of (2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone (CID 114819681) is (2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for (2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone?
The canonical SMILES for (2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone is CCOc1ccc(C(=O)c2coc(C)c2)c(Br)c1.
What is the InChIKey of (2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone?
The InChIKey is OVIUZPWTBVIGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO3/c1-3-17-11-4-5-12(13(15)7-11)14(16)10-6-9(2)18-8-10/h4-8H,3H2,1-2H3.
What are the key properties of (2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone?
(2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone has a molecular weight of 309.16 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 114819681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).