(5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone

C17H14BrClO3 — CID 59423634

IUPAC(5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(O[C@H]2CCOC2)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H14BrClO3/c18-12-3-6-16(19)15(9-12)17(20)11-1-4-13(5-2-11)22-14-7-8-21-10-14/h1-6,9,14H,7-8,10H2/t14-/m0/s1
InChIKeyDGMVPGOZCCHBQI-AWEZNQCLSA-N
MW381.65 g/mol
LogP4.50
Rot. Bonds4

About (5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone

(5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone (PubChem CID 59423634) has the molecular formula C17H14BrClO3 and a molecular weight of 381.65 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone
PubChem CID59423634
Molecular FormulaC17H14BrClO3
Molecular Weight381.65 g/mol
Exact Mass379.98
IUPAC Name(5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(O[C@H]2CCOC2)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H14BrClO3/c18-12-3-6-16(19)15(9-12)17(20)11-1-4-13(5-2-11)22-14-7-8-21-10-14/h1-6,9,14H,7-8,10H2/t14-/m0/s1
InChIKeyDGMVPGOZCCHBQI-AWEZNQCLSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.65
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone (CID 59423634) is (5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone is O=C(c1ccc(O[C@H]2CCOC2)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone?
The InChIKey is DGMVPGOZCCHBQI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H14BrClO3/c18-12-3-6-16(19)15(9-12)17(20)11-1-4-13(5-2-11)22-14-7-8-21-10-14/h1-6,9,14H,7-8,10H2/t14-/m0/s1.
What are the key properties of (5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone?
(5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone has a molecular weight of 381.65 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone is sourced from PubChem (CID 59423634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).