1-cyclohexa-1,3-dien-1-ylpropan-2-ol

C9H14O — CID 14937169

IUPAC1-cyclohexa-1,3-dien-1-ylpropan-2-ol
SMILESCC(O)CC1=CC=CCC1
InChIInChI=1S/C9H14O/c1-8(10)7-9-5-3-2-4-6-9/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeySMLVKSJYNBLRMM-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.03
Rot. Bonds2

About 1-cyclohexa-1,3-dien-1-ylpropan-2-ol

1-cyclohexa-1,3-dien-1-ylpropan-2-ol (PubChem CID 14937169) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-ylpropan-2-ol
PubChem CID14937169
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-cyclohexa-1,3-dien-1-ylpropan-2-ol
SMILESCC(O)CC1=CC=CCC1
InChIInChI=1S/C9H14O/c1-8(10)7-9-5-3-2-4-6-9/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeySMLVKSJYNBLRMM-UHFFFAOYSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexa-1,3-dien-1-ylpropan-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 1-cyclohexa-1,3-dien-1-ylpropan-2-ol?
The IUPAC name of 1-cyclohexa-1,3-dien-1-ylpropan-2-ol (CID 14937169) is 1-cyclohexa-1,3-dien-1-ylpropan-2-ol.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-ylpropan-2-ol?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-ylpropan-2-ol is CC(O)CC1=CC=CCC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-ylpropan-2-ol?
The InChIKey is SMLVKSJYNBLRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8(10)7-9-5-3-2-4-6-9/h2-3,5,8,10H,4,6-7H2,1H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-ylpropan-2-ol?
1-cyclohexa-1,3-dien-1-ylpropan-2-ol has a molecular weight of 138.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-ylpropan-2-ol is sourced from PubChem (CID 14937169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).