3,6-dimethylcyclohexa-2,4-dien-1-ol

C8H12O — CID 154059355

IUPAC3,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(O)C(C)C=C1
InChIInChI=1S/C8H12O/c1-6-3-4-7(2)8(9)5-6/h3-5,7-9H,1-2H3
InChIKeyJPCRWGPNXSOQGY-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.50
Rot. Bonds

About 3,6-dimethylcyclohexa-2,4-dien-1-ol

3,6-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 154059355) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3,6-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name3,6-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID154059355
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(O)C(C)C=C1
InChIInChI=1S/C8H12O/c1-6-3-4-7(2)8(9)5-6/h3-5,7-9H,1-2H3
InChIKeyJPCRWGPNXSOQGY-UHFFFAOYSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S)-4-methylcyclohexa-3,5-diene-1,2-diol
CID 25203479
6-methoxy-3-methylcyclohexa-2,4-dien-1-ol
CID 89265152
5-fluoro-2,6-dimethylcyclohexa-1,3-diene
CID 89049672
1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)ethanol
CID 90828048
2,5-dimethyl-6-[(E)-prop-1-enyl]cyclohexa-1,3-diene
CID 142132615
3,5,6-trimethylcyclohexa-2,4-dien-1-ol
CID 152794150
(1R,2S)-4-methylcyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 175022944
1,6-dimethyl-1,3,3a,7a-tetrahydro-2-benzofuran
CID 118461829
5,7-dimethyl-1,4,4a,5,8,8a-hexahydronaphthalene-1,4-diol
CID 130142788
3-methylbicyclo[4.1.0]hepta-2,4-diene
CID 123395946
methyl-bis(3-methylcyclopenta-2,4-dien-1-yl)silane
CID 162270776
CID 102088109
CID 102088109

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 3,6-dimethylcyclohexa-2,4-dien-1-ol (CID 154059355) is 3,6-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 3,6-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 3,6-dimethylcyclohexa-2,4-dien-1-ol is CC1=CC(O)C(C)C=C1.
What is the InChIKey of 3,6-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is JPCRWGPNXSOQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6-3-4-7(2)8(9)5-6/h3-5,7-9H,1-2H3.
What are the key properties of 3,6-dimethylcyclohexa-2,4-dien-1-ol?
3,6-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 124.18 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 154059355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).