4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol

C15H14O3 — CID 83128683

IUPAC4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol
SMILESOc1ccc(-c2ccc3c(c2)OCCCO3)cc1
InChIInChI=1S/C15H14O3/c16-13-5-2-11(3-6-13)12-4-7-14-15(10-12)18-9-1-8-17-14/h2-7,10,16H,1,8-9H2
InChIKeyHWBRZQLXKVANNK-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.22
Rot. Bonds1

About 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol (PubChem CID 83128683) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol
PubChem CID83128683
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol
SMILESOc1ccc(-c2ccc3c(c2)OCCCO3)cc1
InChIInChI=1S/C15H14O3/c16-13-5-2-11(3-6-13)12-4-7-14-15(10-12)18-9-1-8-17-14/h2-7,10,16H,1,8-9H2
InChIKeyHWBRZQLXKVANNK-UHFFFAOYSA-N
XLogP3.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol 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

5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol
CID 102219638
7-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 58689144
7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine
CID 22299009
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethylaniline
CID 81289628
2,5-dichloro-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol
CID 107663305
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol
CID 13273773
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole
CID 82129027
2-bromo-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-oxazole
CID 102974620
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hydroxymethyl)phenol
CID 174573301
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol?
The IUPAC name of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol (CID 83128683) is 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol.
What is the SMILES notation for 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol?
The canonical SMILES for 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol is Oc1ccc(-c2ccc3c(c2)OCCCO3)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol?
The InChIKey is HWBRZQLXKVANNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-13-5-2-11(3-6-13)12-4-7-14-15(10-12)18-9-1-8-17-14/h2-7,10,16H,1,8-9H2.
What are the key properties of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol?
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol has a molecular weight of 242.27 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol is sourced from PubChem (CID 83128683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).