7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylmethanol

C7H8O2 — CID 12663004

IUPAC7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylmethanol
SMILESOCC12C=CC=CC1O2
InChIInChI=1S/C7H8O2/c8-5-7-4-2-1-3-6(7)9-7/h1-4,6,8H,5H2
InChIKeySAYYHXPTXWGFNW-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.24
Rot. Bonds1

About 7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylmethanol

7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylmethanol (PubChem CID 12663004) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylmethanol.

Molecular Properties

Compound Name7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylmethanol
PubChem CID12663004
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylmethanol
SMILESOCC12C=CC=CC1O2
InChIInChI=1S/C7H8O2/c8-5-7-4-2-1-3-6(7)9-7/h1-4,6,8H,5H2
InChIKeySAYYHXPTXWGFNW-UHFFFAOYSA-N
XLogP0.24
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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3-Hydroxy-1-propenyl-guaiacol
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[6-(Hydroxymethyl)-2-methyl-2,5-dihydropyran-6-yl]methanol
CID 21679894
actinium;[3-[(E)-prop-1-enyl]oxiran-2-yl]methanol
CID 59875225
[2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol
CID 66809111
1-(Hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol
CID 67492541
6-Ethoxy-6-methylcyclohexa-2,4-dien-1-ol
CID 69341266
(1-Methoxycyclohexa-2,4-dien-1-yl)methanol
CID 69641486
6-(Hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol
CID 70370707
[6-(Hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol
CID 71416052

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylmethanol?
The IUPAC name of 7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylmethanol (CID 12663004) is 7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylmethanol.
What is the SMILES notation for 7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylmethanol?
The canonical SMILES for 7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylmethanol is OCC12C=CC=CC1O2.
What is the InChIKey of 7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylmethanol?
The InChIKey is SAYYHXPTXWGFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c8-5-7-4-2-1-3-6(7)9-7/h1-4,6,8H,5H2.
What are the key properties of 7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylmethanol?
7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylmethanol has a molecular weight of 124.14 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylmethanol is sourced from PubChem (CID 12663004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).