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

C7H10O2 — CID 122607435

IUPAC6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
SMILESOCC1C=CC=CC1O
InChIInChI=1S/C7H10O2/c8-5-6-3-1-2-4-7(6)9/h1-4,6-9H,5H2
InChIKeyGVPZFRROGFNTQP-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.08
Rot. Bonds1

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

6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 122607435) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
PubChem CID122607435
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
SMILESOCC1C=CC=CC1O
InChIInChI=1S/C7H10O2/c8-5-6-3-1-2-4-7(6)9/h1-4,6-9H,5H2
InChIKeyGVPZFRROGFNTQP-UHFFFAOYSA-N
XLogP0.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol (CID 122607435) is 6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol is OCC1C=CC=CC1O.
What is the InChIKey of 6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is GVPZFRROGFNTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-5-6-3-1-2-4-7(6)9/h1-4,6-9H,5H2.
What are the key properties of 6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 126.15 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 122607435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).