2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol

C13H22O — CID 139708421

IUPAC2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol
SMILESCC(C)C1(CC(C)(C)O)C=CC=CC1
InChIInChI=1S/C13H22O/c1-11(2)13(10-12(3,4)14)8-6-5-7-9-13/h5-8,11,14H,9-10H2,1-4H3
InChIKeyPVNGXDIUZCMOHL-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.31
Rot. Bonds3

About 2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol

2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol (PubChem CID 139708421) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol
PubChem CID139708421
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol
SMILESCC(C)C1(CC(C)(C)O)C=CC=CC1
InChIInChI=1S/C13H22O/c1-11(2)13(10-12(3,4)14)8-6-5-7-9-13/h5-8,11,14H,9-10H2,1-4H3
InChIKeyPVNGXDIUZCMOHL-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol (CID 139708421) is 2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol is CC(C)C1(CC(C)(C)O)C=CC=CC1.
What is the InChIKey of 2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol?
The InChIKey is PVNGXDIUZCMOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-11(2)13(10-12(3,4)14)8-6-5-7-9-13/h5-8,11,14H,9-10H2,1-4H3.
What are the key properties of 2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol?
2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol has a molecular weight of 194.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-2-ol is sourced from PubChem (CID 139708421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).