1-benzoxepin-5-ol

C10H8O2 — CID 21296343

IUPAC1-benzoxepin-5-ol
SMILESOC1=CC=COc2ccccc21
InChIInChI=1S/C10H8O2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-7,11H
InChIKeyKLBCQBRUFJODSQ-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.49
Rot. Bonds

About 1-benzoxepin-5-ol

1-benzoxepin-5-ol (PubChem CID 21296343) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1-benzoxepin-5-ol.

Molecular Properties

Compound Name1-benzoxepin-5-ol
PubChem CID21296343
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name1-benzoxepin-5-ol
SMILESOC1=CC=COc2ccccc21
InChIInChI=1S/C10H8O2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-7,11H
InChIKeyKLBCQBRUFJODSQ-UHFFFAOYSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-benzodioxine
CID 158348476
4H-1,4-benzoxazepine-5-thione
CID 14712343
2-methylidenechromen-4-ol
CID 143309921
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene
CID 57186040
1-benzoxepine;ethane
CID 142155637
CID 102252121
CID 102252121
2-(1,4-benzoxazepin-5-yl)acetic acid
CID 57266484
4H-chromeno[3,4-b]pyridine
CID 23179949
thieno[3,2-d][1]benzoxepine
CID 142705820
4-amino-2H-chromen-3-ol
CID 70047832
(2Z,4Z)-6-methylidene-7-(10-phenylanthracen-9-yl)-5-(3-phenylphenyl)-1-benzoxocine
CID 142424798
14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 139199451

Frequently Asked Questions

What is the IUPAC name of 1-benzoxepin-5-ol?
The IUPAC name of 1-benzoxepin-5-ol (CID 21296343) is 1-benzoxepin-5-ol.
What is the SMILES notation for 1-benzoxepin-5-ol?
The canonical SMILES for 1-benzoxepin-5-ol is OC1=CC=COc2ccccc21.
What is the InChIKey of 1-benzoxepin-5-ol?
The InChIKey is KLBCQBRUFJODSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-7,11H.
What are the key properties of 1-benzoxepin-5-ol?
1-benzoxepin-5-ol has a molecular weight of 160.17 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoxepin-5-ol is sourced from PubChem (CID 21296343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).