[6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol

C8H10O3 — CID 71416052

IUPAC[6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol
SMILESOCC12C=CC=CC1(CO)O2
InChIInChI=1S/C8H10O3/c9-5-7-3-1-2-4-8(7,6-10)11-7/h1-4,9-10H,5-6H2
InChIKeyIQRUIMDBLFWBQK-UHFFFAOYSA-N
MW154.16 g/mol
LogP-0.40
Rot. Bonds2

About [6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol

[6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol (PubChem CID 71416052) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is [6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol
PubChem CID71416052
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name[6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol
SMILESOCC12C=CC=CC1(CO)O2
InChIInChI=1S/C8H10O3/c9-5-7-3-1-2-4-8(7,6-10)11-7/h1-4,9-10H,5-6H2
InChIKeyIQRUIMDBLFWBQK-UHFFFAOYSA-N
XLogP-0.40
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-Oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)methanol
CID 12663004
m-Cresoloxide
CID 129830988
(1-Methoxycyclohexa-2,4-dien-1-yl)methanol
CID 69641486
(1,5-Dimethoxycyclohexa-2,4-dien-1-yl)methanol
CID 69975536
2-[6-(2-Hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol
CID 88515669
6-Methyl-3-propan-2-yl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol
CID 129642823
[(1R,6R)-1,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol
CID 130399514
6-Ethoxy-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
CID 141037882
(1,6-Dimethoxycyclohexa-2,4-dien-1-yl)methanol
CID 141075410
2-(6-Methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol
CID 141151202
2-(7-Oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol
CID 141182749
[5-(Hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol
CID 141237002

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol?
The IUPAC name of [6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol (CID 71416052) is [6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol.
What is the SMILES notation for [6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol?
The canonical SMILES for [6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol is OCC12C=CC=CC1(CO)O2.
What is the InChIKey of [6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol?
The InChIKey is IQRUIMDBLFWBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-5-7-3-1-2-4-8(7,6-10)11-7/h1-4,9-10H,5-6H2.
What are the key properties of [6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol?
[6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol has a molecular weight of 154.16 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol is sourced from PubChem (CID 71416052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).