1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol

C13H14O3 — CID 10398467

IUPAC1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol
SMILESOC1(c2ccc3c(c2)OCO3)C=CCCC1
InChIInChI=1S/C13H14O3/c14-13(6-2-1-3-7-13)10-4-5-11-12(8-10)16-9-15-11/h2,4-6,8,14H,1,3,7,9H2
InChIKeySLZQSRGOANTSHE-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.34
Rot. Bonds1

About 1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol

1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol (PubChem CID 10398467) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol
PubChem CID10398467
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol
SMILESOC1(c2ccc3c(c2)OCO3)C=CCCC1
InChIInChI=1S/C13H14O3/c14-13(6-2-1-3-7-13)10-4-5-11-12(8-10)16-9-15-11/h2,4-6,8,14H,1,3,7,9H2
InChIKeySLZQSRGOANTSHE-UHFFFAOYSA-N
XLogP2.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzodioxol-5-yl)oxetan-3-ol
CID 75406892
5-(1-methylcyclobutyl)-1,3-benzodioxole
CID 130983520
3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171960077
1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine
CID 165360308
2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine
CID 65007449
(1S,5S)-3-(1,3-benzodioxol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98113270
2-[1-(1,3-benzodioxol-5-yl)cyclobutyl]acetonitrile
CID 54471078
4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine
CID 83822990
3-(1,3-benzodioxol-5-yl)-3-methylpiperidine
CID 82285836
4-(1,3-benzodioxol-5-yl)oxane-4-carbonyl chloride
CID 172994841
[1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol
CID 116842630
2-[(1R)-1-(1,3-benzodioxol-5-yl)-2-oxocyclohexyl]acetaldehyde
CID 102503354

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol (CID 10398467) is 1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol is OC1(c2ccc3c(c2)OCO3)C=CCCC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol?
The InChIKey is SLZQSRGOANTSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c14-13(6-2-1-3-7-13)10-4-5-11-12(8-10)16-9-15-11/h2,4-6,8,14H,1,3,7,9H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol?
1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol has a molecular weight of 218.25 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 10398467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).