3-cyclohexa-2,4-dien-1-ylpropan-1-ol

C9H14O — CID 11789275

IUPAC3-cyclohexa-2,4-dien-1-ylpropan-1-ol
SMILESOCCCC1C=CC=CC1
InChIInChI=1S/C9H14O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5,9-10H,4,6-8H2
InChIKeyDIKXLVZBRJVCTK-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.89
Rot. Bonds3

About 3-cyclohexa-2,4-dien-1-ylpropan-1-ol

3-cyclohexa-2,4-dien-1-ylpropan-1-ol (PubChem CID 11789275) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-cyclohexa-2,4-dien-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-cyclohexa-2,4-dien-1-ylpropan-1-ol
PubChem CID11789275
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3-cyclohexa-2,4-dien-1-ylpropan-1-ol
SMILESOCCCC1C=CC=CC1
InChIInChI=1S/C9H14O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5,9-10H,4,6-8H2
InChIKeyDIKXLVZBRJVCTK-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-2,4-dien-1-ylpropan-1-ol?
The IUPAC name of 3-cyclohexa-2,4-dien-1-ylpropan-1-ol (CID 11789275) is 3-cyclohexa-2,4-dien-1-ylpropan-1-ol.
What is the SMILES notation for 3-cyclohexa-2,4-dien-1-ylpropan-1-ol?
The canonical SMILES for 3-cyclohexa-2,4-dien-1-ylpropan-1-ol is OCCCC1C=CC=CC1.
What is the InChIKey of 3-cyclohexa-2,4-dien-1-ylpropan-1-ol?
The InChIKey is DIKXLVZBRJVCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5,9-10H,4,6-8H2.
What are the key properties of 3-cyclohexa-2,4-dien-1-ylpropan-1-ol?
3-cyclohexa-2,4-dien-1-ylpropan-1-ol has a molecular weight of 138.21 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-2,4-dien-1-ylpropan-1-ol is sourced from PubChem (CID 11789275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).