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

C8H12O — CID 67882499

IUPAC1,3-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(C)(O)CC=C1
InChIInChI=1S/C8H12O/c1-7-4-3-5-8(2,9)6-7/h3-4,6,9H,5H2,1-2H3
InChIKeyQPVRKFOKCKORDP-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.64
Rot. Bonds

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

1,3-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 67882499) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1,3-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,3-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID67882499
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1,3-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(C)(O)CC=C1
InChIInChI=1S/C8H12O/c1-7-4-3-5-8(2,9)6-7/h3-4,6,9H,5H2,1-2H3
InChIKeyQPVRKFOKCKORDP-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,3-dimethylcyclohexa-2,4-dien-1-ol (CID 67882499) is 1,3-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,3-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,3-dimethylcyclohexa-2,4-dien-1-ol is CC1=CC(C)(O)CC=C1.
What is the InChIKey of 1,3-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is QPVRKFOKCKORDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7-4-3-5-8(2,9)6-7/h3-4,6,9H,5H2,1-2H3.
What are the key properties of 1,3-dimethylcyclohexa-2,4-dien-1-ol?
1,3-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 124.18 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67882499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).