2-methylcyclohexa-2,4-dien-1-ol

C7H10O — CID 23403166

IUPAC2-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CCC1O
InChIInChI=1S/C7H10O/c1-6-4-2-3-5-7(6)8/h2-4,7-8H,5H2,1H3
InChIKeyLHMZEGGDJQWTAM-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.25
Rot. Bonds

About 2-methylcyclohexa-2,4-dien-1-ol

2-methylcyclohexa-2,4-dien-1-ol (PubChem CID 23403166) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-methylcyclohexa-2,4-dien-1-ol
PubChem CID23403166
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CCC1O
InChIInChI=1S/C7H10O/c1-6-4-2-3-5-7(6)8/h2-4,7-8H,5H2,1H3
InChIKeyLHMZEGGDJQWTAM-UHFFFAOYSA-N
XLogP1.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-methylcyclohexa-2,4-dien-1-ol (CID 23403166) is 2-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-methylcyclohexa-2,4-dien-1-ol is CC1=CC=CCC1O.
What is the InChIKey of 2-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is LHMZEGGDJQWTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-6-4-2-3-5-7(6)8/h2-4,7-8H,5H2,1H3.
What are the key properties of 2-methylcyclohexa-2,4-dien-1-ol?
2-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 110.16 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 23403166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).