4-(hydroxymethoxy)cyclohexa-1,3-dien-1-ol

C7H10O3 — CID 134240809

IUPAC4-(hydroxymethoxy)cyclohexa-1,3-dien-1-ol
SMILESOCOC1=CC=C(O)CC1
InChIInChI=1S/C7H10O3/c8-5-10-7-3-1-6(9)2-4-7/h1,3,8-9H,2,4-5H2
InChIKeyOBVZYVIAERUDDV-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.07
Rot. Bonds2

About 4-(hydroxymethoxy)cyclohexa-1,3-dien-1-ol

4-(hydroxymethoxy)cyclohexa-1,3-dien-1-ol (PubChem CID 134240809) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-(hydroxymethoxy)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-(hydroxymethoxy)cyclohexa-1,3-dien-1-ol
PubChem CID134240809
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-(hydroxymethoxy)cyclohexa-1,3-dien-1-ol
SMILESOCOC1=CC=C(O)CC1
InChIInChI=1S/C7H10O3/c8-5-10-7-3-1-6(9)2-4-7/h1,3,8-9H,2,4-5H2
InChIKeyOBVZYVIAERUDDV-UHFFFAOYSA-N
XLogP1.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethoxy)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-(hydroxymethoxy)cyclohexa-1,3-dien-1-ol (CID 134240809) is 4-(hydroxymethoxy)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-(hydroxymethoxy)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-(hydroxymethoxy)cyclohexa-1,3-dien-1-ol is OCOC1=CC=C(O)CC1.
What is the InChIKey of 4-(hydroxymethoxy)cyclohexa-1,3-dien-1-ol?
The InChIKey is OBVZYVIAERUDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-5-10-7-3-1-6(9)2-4-7/h1,3,8-9H,2,4-5H2.
What are the key properties of 4-(hydroxymethoxy)cyclohexa-1,3-dien-1-ol?
4-(hydroxymethoxy)cyclohexa-1,3-dien-1-ol has a molecular weight of 142.15 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethoxy)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 134240809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).