1-methylcyclohexa-3,5-diene-1,3-diol

C7H10O2 — CID 22660275

IUPAC1-methylcyclohexa-3,5-diene-1,3-diol
SMILESCC1(O)C=CC=C(O)C1
InChIInChI=1S/C7H10O2/c1-7(9)4-2-3-6(8)5-7/h2-4,8-9H,5H2,1H3
InChIKeyYKPXTMAQTAVHDA-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.14
Rot. Bonds

About 1-methylcyclohexa-3,5-diene-1,3-diol

1-methylcyclohexa-3,5-diene-1,3-diol (PubChem CID 22660275) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 1-methylcyclohexa-3,5-diene-1,3-diol.

Molecular Properties

Compound Name1-methylcyclohexa-3,5-diene-1,3-diol
PubChem CID22660275
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name1-methylcyclohexa-3,5-diene-1,3-diol
SMILESCC1(O)C=CC=C(O)C1
InChIInChI=1S/C7H10O2/c1-7(9)4-2-3-6(8)5-7/h2-4,8-9H,5H2,1H3
InChIKeyYKPXTMAQTAVHDA-UHFFFAOYSA-N
XLogP1.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclohexa-3,5-diene-1,3-diol?
The IUPAC name of 1-methylcyclohexa-3,5-diene-1,3-diol (CID 22660275) is 1-methylcyclohexa-3,5-diene-1,3-diol.
What is the SMILES notation for 1-methylcyclohexa-3,5-diene-1,3-diol?
The canonical SMILES for 1-methylcyclohexa-3,5-diene-1,3-diol is CC1(O)C=CC=C(O)C1.
What is the InChIKey of 1-methylcyclohexa-3,5-diene-1,3-diol?
The InChIKey is YKPXTMAQTAVHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-7(9)4-2-3-6(8)5-7/h2-4,8-9H,5H2,1H3.
What are the key properties of 1-methylcyclohexa-3,5-diene-1,3-diol?
1-methylcyclohexa-3,5-diene-1,3-diol has a molecular weight of 126.15 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexa-3,5-diene-1,3-diol is sourced from PubChem (CID 22660275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).