1-propan-2-ylcyclohexa-2,4-dien-1-ol

C9H14O — CID 23617155

IUPAC1-propan-2-ylcyclohexa-2,4-dien-1-ol
SMILESCC(C)C1(O)C=CC=CC1
InChIInChI=1S/C9H14O/c1-8(2)9(10)6-4-3-5-7-9/h3-6,8,10H,7H2,1-2H3
InChIKeyHBPKCIJONRYSBG-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.89
Rot. Bonds1

About 1-propan-2-ylcyclohexa-2,4-dien-1-ol

1-propan-2-ylcyclohexa-2,4-dien-1-ol (PubChem CID 23617155) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-propan-2-ylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-propan-2-ylcyclohexa-2,4-dien-1-ol
PubChem CID23617155
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-propan-2-ylcyclohexa-2,4-dien-1-ol
SMILESCC(C)C1(O)C=CC=CC1
InChIInChI=1S/C9H14O/c1-8(2)9(10)6-4-3-5-7-9/h3-6,8,10H,7H2,1-2H3
InChIKeyHBPKCIJONRYSBG-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-propan-2-ylcyclohexa-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

p-Mentha-1,5-dien-7-ol
CID 519721
Npc14594
CID 519323
(3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol
CID 118715382
2-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]propan-2-ol
CID 13965283
3-Methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol
CID 163189860
3,7-Dimethyl-4-(prop-1-en-2-yl)octa-1,6-dien-3-ol
CID 12452972
2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propan-2-ol
CID 13965282
Methylxylenol
CID 17854933
p-Allylquinol
CID 17894603
1.2-Xylenol
CID 20473549
Dimethyldihydroresorcin
CID 21272011
1-Methylphenol
CID 22915515

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-propan-2-ylcyclohexa-2,4-dien-1-ol (CID 23617155) is 1-propan-2-ylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-propan-2-ylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-propan-2-ylcyclohexa-2,4-dien-1-ol is CC(C)C1(O)C=CC=CC1.
What is the InChIKey of 1-propan-2-ylcyclohexa-2,4-dien-1-ol?
The InChIKey is HBPKCIJONRYSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8(2)9(10)6-4-3-5-7-9/h3-6,8,10H,7H2,1-2H3.
What are the key properties of 1-propan-2-ylcyclohexa-2,4-dien-1-ol?
1-propan-2-ylcyclohexa-2,4-dien-1-ol has a molecular weight of 138.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 23617155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).