6-methylcyclohexa-1,3-dien-1-ol

C7H10O — CID 22667717

IUPAC6-methylcyclohexa-1,3-dien-1-ol
SMILESCC1CC=CC=C1O
InChIInChI=1S/C7H10O/c1-6-4-2-3-5-7(6)8/h2-3,5-6,8H,4H2,1H3
InChIKeyAJNFJHSUXOUPTD-UHFFFAOYSA-N
MW110.16 g/mol
LogP2.02
Rot. Bonds

About 6-methylcyclohexa-1,3-dien-1-ol

6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 22667717) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-methylcyclohexa-1,3-dien-1-ol
PubChem CID22667717
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name6-methylcyclohexa-1,3-dien-1-ol
SMILESCC1CC=CC=C1O
InChIInChI=1S/C7H10O/c1-6-4-2-3-5-7(6)8/h2-3,5-6,8H,4H2,1H3
InChIKeyAJNFJHSUXOUPTD-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexadienol
CID 12682337
o-Allylcresol
CID 67363361
3-Methyl-[m-cresol]
CID 68881117
2,6-Dimethylcresol
CID 69992119
2,3,3-Trimethylphenol
CID 129664454
o-Ethyl-cresol
CID 129675303
2-Methyl-[o-cresol]
CID 129821398
5-Fluoro-2-methylcyclohexa-1,3-dien-1-ol
CID 89265183
(5S)-5-fluoro-2-methylcyclohexa-1,3-dien-1-ol
CID 126706777
2-Fluoro-6-methylcyclohexa-1,3-dien-1-ol
CID 154518719
(6S)-3,4,5-trifluoro-6-methylcyclohexa-1,3-dien-1-ol
CID 164101206
6-(Trifluoromethyl)cyclohexa-1,3-dien-1-ol
CID 166978400

Frequently Asked Questions

What is the IUPAC name of 6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-methylcyclohexa-1,3-dien-1-ol (CID 22667717) is 6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-methylcyclohexa-1,3-dien-1-ol is CC1CC=CC=C1O.
What is the InChIKey of 6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is AJNFJHSUXOUPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-6-4-2-3-5-7(6)8/h2-3,5-6,8H,4H2,1H3.
What are the key properties of 6-methylcyclohexa-1,3-dien-1-ol?
6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 110.16 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 22667717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).