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

C14H13BrO3 — CID 43463855

IUPAC(5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)c1ccc(C)o1
InChIInChI=1S/C14H13BrO3/c1-3-17-12-7-5-10(15)8-11(12)14(16)13-6-4-9(2)18-13/h4-8H,3H2,1-2H3
InChIKeyNCJPWVODRDXZSE-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.98
Rot. Bonds4

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

(5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone (PubChem CID 43463855) has the molecular formula C14H13BrO3 and a molecular weight of 309.16 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
PubChem CID43463855
Molecular FormulaC14H13BrO3
Molecular Weight309.16 g/mol
Exact Mass308.00
IUPAC Name(5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)c1ccc(C)o1
InChIInChI=1S/C14H13BrO3/c1-3-17-12-7-5-10(15)8-11(12)14(16)13-6-4-9(2)18-13/h4-8H,3H2,1-2H3
InChIKeyNCJPWVODRDXZSE-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

(5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 106683820
(4-bromo-2-ethoxycarbonylphenyl) 5-bromo-2-ethoxybenzoate
CID 23012871
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 107874153
(5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096153
(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 43626038
(5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 103298335
1-(5-bromo-2-ethoxyphenyl)-2-methoxyethanone
CID 82051142
(3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 115791255
ethyl 5-bromo-2-(2-ethoxybenzoyl)oxybenzoate
CID 17343270
(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone
CID 43311306
5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230351
(5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63732050

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone (CID 43463855) is (5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone is CCOc1ccc(Br)cc1C(=O)c1ccc(C)o1.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone?
The InChIKey is NCJPWVODRDXZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO3/c1-3-17-12-7-5-10(15)8-11(12)14(16)13-6-4-9(2)18-13/h4-8H,3H2,1-2H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone?
(5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-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 (5-bromo-2-ethoxyphenyl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 43463855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).