(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

C16H13BrO3 — CID 62200694

IUPAC(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc3c(c2)CCO3)c(Br)c1
InChIInChI=1S/C16H13BrO3/c1-19-12-3-4-13(14(17)9-12)16(18)11-2-5-15-10(8-11)6-7-20-15/h2-5,8-9H,6-7H2,1H3
InChIKeyOCPXNIKTFLSAGJ-UHFFFAOYSA-N
MW333.18 g/mol
LogP3.62
Rot. Bonds3

About (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 62200694) has the molecular formula C16H13BrO3 and a molecular weight of 333.18 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID62200694
Molecular FormulaC16H13BrO3
Molecular Weight333.18 g/mol
Exact Mass332.00
IUPAC Name(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc3c(c2)CCO3)c(Br)c1
InChIInChI=1S/C16H13BrO3/c1-19-12-3-4-13(14(17)9-12)16(18)11-2-5-15-10(8-11)6-7-20-15/h2-5,8-9H,6-7H2,1H3
InChIKeyOCPXNIKTFLSAGJ-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 60786281
(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107944745
(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107469285
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one
CID 43338452
methyl 1-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylate
CID 116922177
(3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 114973436
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone
CID 65434765
2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone
CID 115797247
(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 63492340

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (CID 62200694) is (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is COc1ccc(C(=O)c2ccc3c(c2)CCO3)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is OCPXNIKTFLSAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO3/c1-19-12-3-4-13(14(17)9-12)16(18)11-2-5-15-10(8-11)6-7-20-15/h2-5,8-9H,6-7H2,1H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 333.18 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 62200694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).