(5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

C16H16O2 — CID 79014200

IUPAC(5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
SMILESO[C@H]1CCCOc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C16H16O2/c17-15-7-4-10-18-16-9-8-13(11-14(15)16)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15,17H,4,7,10H2/t15-/m0/s1
InChIKeyCJFWJKPVLGRLSX-HNNXBMFYSA-N
MW240.30 g/mol
LogP3.56
Rot. Bonds1

About (5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

(5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol (PubChem CID 79014200) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol.

Molecular Properties

Compound Name(5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
PubChem CID79014200
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
SMILESO[C@H]1CCCOc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C16H16O2/c17-15-7-4-10-18-16-9-8-13(11-14(15)16)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15,17H,4,7,10H2/t15-/m0/s1
InChIKeyCJFWJKPVLGRLSX-HNNXBMFYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol 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 (5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
The IUPAC name of (5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol (CID 79014200) is (5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol.
What is the SMILES notation for (5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
The canonical SMILES for (5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol is O[C@H]1CCCOc2ccc(-c3ccccc3)cc21.
What is the InChIKey of (5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
The InChIKey is CJFWJKPVLGRLSX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16O2/c17-15-7-4-10-18-16-9-8-13(11-14(15)16)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15,17H,4,7,10H2/t15-/m0/s1.
What are the key properties of (5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
(5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol has a molecular weight of 240.30 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol is sourced from PubChem (CID 79014200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).