6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol

C8H12O3 — CID 70370707

IUPAC6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol
SMILESCOC1(CO)C=CC=CC1O
InChIInChI=1S/C8H12O3/c1-11-8(6-9)5-3-2-4-7(8)10/h2-5,7,9-10H,6H2,1H3
InChIKeyFPHLVELPHXGUMD-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.15
Rot. Bonds2

About 6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol

6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol (PubChem CID 70370707) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol
PubChem CID70370707
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol
SMILESCOC1(CO)C=CC=CC1O
InChIInChI=1S/C8H12O3/c1-11-8(6-9)5-3-2-4-7(8)10/h2-5,7,9-10H,6H2,1H3
InChIKeyFPHLVELPHXGUMD-UHFFFAOYSA-N
XLogP-0.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol (CID 70370707) is 6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol is COC1(CO)C=CC=CC1O.
What is the InChIKey of 6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol?
The InChIKey is FPHLVELPHXGUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-11-8(6-9)5-3-2-4-7(8)10/h2-5,7,9-10H,6H2,1H3.
What are the key properties of 6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol?
6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol has a molecular weight of 156.18 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70370707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).