(4-bromophenyl)-(oxolan-2-yl)methanone

C11H11BrO2 — CID 43160432

IUPAC(4-bromophenyl)-(oxolan-2-yl)methanone
SMILESO=C(c1ccc(Br)cc1)C1CCCO1
InChIInChI=1S/C11H11BrO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h3-6,10H,1-2,7H2
InChIKeyCEVLFEZVQZEPFI-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.81
Rot. Bonds2

About (4-bromophenyl)-(oxolan-2-yl)methanone

(4-bromophenyl)-(oxolan-2-yl)methanone (PubChem CID 43160432) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is (4-bromophenyl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(oxolan-2-yl)methanone
PubChem CID43160432
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name(4-bromophenyl)-(oxolan-2-yl)methanone
SMILESO=C(c1ccc(Br)cc1)C1CCCO1
InChIInChI=1S/C11H11BrO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h3-6,10H,1-2,7H2
InChIKeyCEVLFEZVQZEPFI-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(oxolan-2-yl)methanone?
The IUPAC name of (4-bromophenyl)-(oxolan-2-yl)methanone (CID 43160432) is (4-bromophenyl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(oxolan-2-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(oxolan-2-yl)methanone is O=C(c1ccc(Br)cc1)C1CCCO1.
What is the InChIKey of (4-bromophenyl)-(oxolan-2-yl)methanone?
The InChIKey is CEVLFEZVQZEPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h3-6,10H,1-2,7H2.
What are the key properties of (4-bromophenyl)-(oxolan-2-yl)methanone?
(4-bromophenyl)-(oxolan-2-yl)methanone has a molecular weight of 255.11 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 43160432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).