(4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone

C15H13BrO2 — CID 79597549

IUPAC(4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone
SMILESO=C(c1ccc(Br)c2ccccc12)C1CCOC1
InChIInChI=1S/C15H13BrO2/c16-14-6-5-13(11-3-1-2-4-12(11)14)15(17)10-7-8-18-9-10/h1-6,10H,7-9H2
InChIKeyLQSQFASFRHATIZ-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.82
Rot. Bonds2

About (4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone

(4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone (PubChem CID 79597549) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone
PubChem CID79597549
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name(4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone
SMILESO=C(c1ccc(Br)c2ccccc12)C1CCOC1
InChIInChI=1S/C15H13BrO2/c16-14-6-5-13(11-3-1-2-4-12(11)14)15(17)10-7-8-18-9-10/h1-6,10H,7-9H2
InChIKeyLQSQFASFRHATIZ-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromonaphthalen-1-yl)-cyclobutylmethanone
CID 79596781
1H-indol-3-yl(oxolan-3-yl)methanone
CID 61272977
(2-bromophenyl)-(oxan-4-yl)methanone
CID 63936269
(4-bromothiophen-3-yl)-(oxolan-3-yl)methanone
CID 79596493
(2-bromo-3,4-difluorophenyl)-(oxolan-3-yl)methanone
CID 107538180
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxolan-3-yl)methanone
CID 61272983
2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone
CID 63564355
(5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone
CID 61272790
4-bromo-N-cyclopropylnaphthalene-1-carboxamide
CID 70699727
(2-bromo-5-methylphenyl)-(oxan-3-yl)methanone
CID 107138551
(2-aminophenyl)-(oxan-4-yl)methanone
CID 64834175
(2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone
CID 61272785

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone (CID 79597549) is (4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone is O=C(c1ccc(Br)c2ccccc12)C1CCOC1.
What is the InChIKey of (4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone?
The InChIKey is LQSQFASFRHATIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c16-14-6-5-13(11-3-1-2-4-12(11)14)15(17)10-7-8-18-9-10/h1-6,10H,7-9H2.
What are the key properties of (4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone?
(4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone has a molecular weight of 305.17 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromonaphthalen-1-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 79597549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).