1-methoxycyclohexa-3,5-diene-1,2-diol

C7H10O3 — CID 19371245

IUPAC1-methoxycyclohexa-3,5-diene-1,2-diol
SMILESCOC1(O)C=CC=CC1O
InChIInChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(7)8/h2-6,8-9H,1H3
InChIKeyOMVMVUZVBQXURG-UHFFFAOYSA-N
MW142.15 g/mol
LogP-0.19
Rot. Bonds1

About 1-methoxycyclohexa-3,5-diene-1,2-diol

1-methoxycyclohexa-3,5-diene-1,2-diol (PubChem CID 19371245) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 1-methoxycyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name1-methoxycyclohexa-3,5-diene-1,2-diol
PubChem CID19371245
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name1-methoxycyclohexa-3,5-diene-1,2-diol
SMILESCOC1(O)C=CC=CC1O
InChIInChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(7)8/h2-6,8-9H,1H3
InChIKeyOMVMVUZVBQXURG-UHFFFAOYSA-N
XLogP-0.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-0.19
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 1-methoxycyclohexa-3,5-diene-1,2-diol?
The IUPAC name of 1-methoxycyclohexa-3,5-diene-1,2-diol (CID 19371245) is 1-methoxycyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for 1-methoxycyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for 1-methoxycyclohexa-3,5-diene-1,2-diol is COC1(O)C=CC=CC1O.
What is the InChIKey of 1-methoxycyclohexa-3,5-diene-1,2-diol?
The InChIKey is OMVMVUZVBQXURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(7)8/h2-6,8-9H,1H3.
What are the key properties of 1-methoxycyclohexa-3,5-diene-1,2-diol?
1-methoxycyclohexa-3,5-diene-1,2-diol has a molecular weight of 142.15 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxycyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 19371245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).