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

C8H12O3 — CID 67492541

IUPAC1-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol
SMILESCOC1C=CC=CC1(O)CO
InChIInChI=1S/C8H12O3/c1-11-7-4-2-3-5-8(7,10)6-9/h2-5,7,9-10H,6H2,1H3
InChIKeyYWVOFOOXNOLCOW-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.15
Rot. Bonds2

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

1-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol (PubChem CID 67492541) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol
PubChem CID67492541
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol
SMILESCOC1C=CC=CC1(O)CO
InChIInChI=1S/C8H12O3/c1-11-7-4-2-3-5-8(7,10)6-9/h2-5,7,9-10H,6H2,1H3
InChIKeyYWVOFOOXNOLCOW-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 1-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol (CID 67492541) is 1-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol is COC1C=CC=CC1(O)CO.
What is the InChIKey of 1-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol?
The InChIKey is YWVOFOOXNOLCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-11-7-4-2-3-5-8(7,10)6-9/h2-5,7,9-10H,6H2,1H3.
What are the key properties of 1-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol?
1-(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 1-(hydroxymethyl)-6-methoxycyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67492541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).