(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone

C12H11BrO2 — CID 130579799

IUPAC(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone
SMILESCc1cccc(C(=O)C2=COCC2)c1Br
InChIInChI=1S/C12H11BrO2/c1-8-3-2-4-10(11(8)13)12(14)9-5-6-15-7-9/h2-4,7H,5-6H2,1H3
InChIKeyREFPLPTTYFRYAX-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.24
Rot. Bonds2

About (2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone

(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone (PubChem CID 130579799) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone
PubChem CID130579799
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone
SMILESCc1cccc(C(=O)C2=COCC2)c1Br
InChIInChI=1S/C12H11BrO2/c1-8-3-2-4-10(11(8)13)12(14)9-5-6-15-7-9/h2-4,7H,5-6H2,1H3
InChIKeyREFPLPTTYFRYAX-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone?
The IUPAC name of (2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone (CID 130579799) is (2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone?
The canonical SMILES for (2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone is Cc1cccc(C(=O)C2=COCC2)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone?
The InChIKey is REFPLPTTYFRYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2/c1-8-3-2-4-10(11(8)13)12(14)9-5-6-15-7-9/h2-4,7H,5-6H2,1H3.
What are the key properties of (2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone?
(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone has a molecular weight of 267.12 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone is sourced from PubChem (CID 130579799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).