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

C9H14O — CID 139242852

IUPAC4-propan-2-ylcyclohexa-2,4-dien-1-ol
SMILESCC(C)C1=CCC(O)C=C1
InChIInChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3-5,7,9-10H,6H2,1-2H3
InChIKeySSYXMVREHRAQHO-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.89
Rot. Bonds1

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

4-propan-2-ylcyclohexa-2,4-dien-1-ol (PubChem CID 139242852) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-propan-2-ylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-propan-2-ylcyclohexa-2,4-dien-1-ol
PubChem CID139242852
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name4-propan-2-ylcyclohexa-2,4-dien-1-ol
SMILESCC(C)C1=CCC(O)C=C1
InChIInChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3-5,7,9-10H,6H2,1-2H3
InChIKeySSYXMVREHRAQHO-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

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Related Compounds

N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine
CID 137439340
2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 154520136
3-propan-2-ylcyclopenta-2,4-dien-1-ol
CID 146647616
4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-ol
CID 162584280
N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine
CID 176964136
3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole
CID 170043562
hafnium;2-propan-2-ylcyclopenta-1,3-diene
CID 175311105
1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine
CID 71218420
ethene;5-methyl-2-propan-2-ylcyclopenta-1,3-diene
CID 143684715
4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol
CID 123239689
4-(tetrazol-2-yl)cyclohexa-2,4-dien-1-ol
CID 91518189
1-fluoro-3-(4-methylcyclohexa-1,5-dien-1-yl)butan-2-amine
CID 134316623

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-propan-2-ylcyclohexa-2,4-dien-1-ol (CID 139242852) is 4-propan-2-ylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-propan-2-ylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-propan-2-ylcyclohexa-2,4-dien-1-ol is CC(C)C1=CCC(O)C=C1.
What is the InChIKey of 4-propan-2-ylcyclohexa-2,4-dien-1-ol?
The InChIKey is SSYXMVREHRAQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3-5,7,9-10H,6H2,1-2H3.
What are the key properties of 4-propan-2-ylcyclohexa-2,4-dien-1-ol?
4-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 4-propan-2-ylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 139242852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).