2,3,4,5-tetrahydro-1-benzoxepin-2-ol

C10H12O2 — CID 118271774

IUPAC2,3,4,5-tetrahydro-1-benzoxepin-2-ol
SMILESOC1CCCc2ccccc2O1
InChIInChI=1S/C10H12O2/c11-10-7-3-5-8-4-1-2-6-9(8)12-10/h1-2,4,6,10-11H,3,5,7H2
InChIKeyJRIJNGUHINZROK-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.72
Rot. Bonds

About 2,3,4,5-tetrahydro-1-benzoxepin-2-ol

2,3,4,5-tetrahydro-1-benzoxepin-2-ol (PubChem CID 118271774) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1-benzoxepin-2-ol.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1-benzoxepin-2-ol
PubChem CID118271774
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2,3,4,5-tetrahydro-1-benzoxepin-2-ol
SMILESOC1CCCc2ccccc2O1
InChIInChI=1S/C10H12O2/c11-10-7-3-5-8-4-1-2-6-9(8)12-10/h1-2,4,6,10-11H,3,5,7H2
InChIKeyJRIJNGUHINZROK-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1-benzoxepin-2-ol?
The IUPAC name of 2,3,4,5-tetrahydro-1-benzoxepin-2-ol (CID 118271774) is 2,3,4,5-tetrahydro-1-benzoxepin-2-ol.
What is the SMILES notation for 2,3,4,5-tetrahydro-1-benzoxepin-2-ol?
The canonical SMILES for 2,3,4,5-tetrahydro-1-benzoxepin-2-ol is OC1CCCc2ccccc2O1.
What is the InChIKey of 2,3,4,5-tetrahydro-1-benzoxepin-2-ol?
The InChIKey is JRIJNGUHINZROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-10-7-3-5-8-4-1-2-6-9(8)12-10/h1-2,4,6,10-11H,3,5,7H2.
What are the key properties of 2,3,4,5-tetrahydro-1-benzoxepin-2-ol?
2,3,4,5-tetrahydro-1-benzoxepin-2-ol has a molecular weight of 164.20 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1-benzoxepin-2-ol is sourced from PubChem (CID 118271774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).