3-cyclohexa-1,3-dien-1-ylprop-2-en-1-ol

C9H12O — CID 67897797

IUPAC3-cyclohexa-1,3-dien-1-ylprop-2-en-1-ol
SMILESOCC=CC1=CC=CCC1
InChIInChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-2,4-5,7,10H,3,6,8H2
InChIKeyKECZPHWKLFGNDI-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.81
Rot. Bonds2

About 3-cyclohexa-1,3-dien-1-ylprop-2-en-1-ol

3-cyclohexa-1,3-dien-1-ylprop-2-en-1-ol (PubChem CID 67897797) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-ylprop-2-en-1-ol.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-ylprop-2-en-1-ol
PubChem CID67897797
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name3-cyclohexa-1,3-dien-1-ylprop-2-en-1-ol
SMILESOCC=CC1=CC=CCC1
InChIInChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-2,4-5,7,10H,3,6,8H2
InChIKeyKECZPHWKLFGNDI-UHFFFAOYSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-ylprop-2-en-1-ol?
The IUPAC name of 3-cyclohexa-1,3-dien-1-ylprop-2-en-1-ol (CID 67897797) is 3-cyclohexa-1,3-dien-1-ylprop-2-en-1-ol.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-ylprop-2-en-1-ol?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-ylprop-2-en-1-ol is OCC=CC1=CC=CCC1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-ylprop-2-en-1-ol?
The InChIKey is KECZPHWKLFGNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-2,4-5,7,10H,3,6,8H2.
What are the key properties of 3-cyclohexa-1,3-dien-1-ylprop-2-en-1-ol?
3-cyclohexa-1,3-dien-1-ylprop-2-en-1-ol has a molecular weight of 136.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-ylprop-2-en-1-ol is sourced from PubChem (CID 67897797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).