1-methylcyclohexa-3,5-diene-1,2,3-triol

C7H10O3 — CID 67650327

IUPAC1-methylcyclohexa-3,5-diene-1,2,3-triol
SMILESCC1(O)C=CC=C(O)C1O
InChIInChI=1S/C7H10O3/c1-7(10)4-2-3-5(8)6(7)9/h2-4,6,8-10H,1H3
InChIKeyKPWKTPMKPOPKHO-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.11
Rot. Bonds

About 1-methylcyclohexa-3,5-diene-1,2,3-triol

1-methylcyclohexa-3,5-diene-1,2,3-triol (PubChem CID 67650327) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 1-methylcyclohexa-3,5-diene-1,2,3-triol.

Molecular Properties

Compound Name1-methylcyclohexa-3,5-diene-1,2,3-triol
PubChem CID67650327
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name1-methylcyclohexa-3,5-diene-1,2,3-triol
SMILESCC1(O)C=CC=C(O)C1O
InChIInChI=1S/C7H10O3/c1-7(10)4-2-3-5(8)6(7)9/h2-4,6,8-10H,1H3
InChIKeyKPWKTPMKPOPKHO-UHFFFAOYSA-N
XLogP0.11
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclohexa-3,5-diene-1,2,3-triol?
The IUPAC name of 1-methylcyclohexa-3,5-diene-1,2,3-triol (CID 67650327) is 1-methylcyclohexa-3,5-diene-1,2,3-triol.
What is the SMILES notation for 1-methylcyclohexa-3,5-diene-1,2,3-triol?
The canonical SMILES for 1-methylcyclohexa-3,5-diene-1,2,3-triol is CC1(O)C=CC=C(O)C1O.
What is the InChIKey of 1-methylcyclohexa-3,5-diene-1,2,3-triol?
The InChIKey is KPWKTPMKPOPKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-7(10)4-2-3-5(8)6(7)9/h2-4,6,8-10H,1H3.
What are the key properties of 1-methylcyclohexa-3,5-diene-1,2,3-triol?
1-methylcyclohexa-3,5-diene-1,2,3-triol has a molecular weight of 142.15 g/mol, XLogP of 0.11, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexa-3,5-diene-1,2,3-triol is sourced from PubChem (CID 67650327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).