3-azulen-1-ylprop-1-en-1-ol

C13H12O — CID 67644602

IUPAC3-azulen-1-ylprop-1-en-1-ol
SMILESOC=CCc1ccc2cccccc1-2
InChIInChI=1S/C13H12O/c14-10-4-6-12-9-8-11-5-2-1-3-7-13(11)12/h1-5,7-10,14H,6H2
InChIKeyIULNLPGWVNRXJH-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.41
Rot. Bonds2

About 3-azulen-1-ylprop-1-en-1-ol

3-azulen-1-ylprop-1-en-1-ol (PubChem CID 67644602) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-azulen-1-ylprop-1-en-1-ol.

Molecular Properties

Compound Name3-azulen-1-ylprop-1-en-1-ol
PubChem CID67644602
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name3-azulen-1-ylprop-1-en-1-ol
SMILESOC=CCc1ccc2cccccc1-2
InChIInChI=1S/C13H12O/c14-10-4-6-12-9-8-11-5-2-1-3-7-13(11)12/h1-5,7-10,14H,6H2
InChIKeyIULNLPGWVNRXJH-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azulen-1-ylprop-1-en-1-ol?
The IUPAC name of 3-azulen-1-ylprop-1-en-1-ol (CID 67644602) is 3-azulen-1-ylprop-1-en-1-ol.
What is the SMILES notation for 3-azulen-1-ylprop-1-en-1-ol?
The canonical SMILES for 3-azulen-1-ylprop-1-en-1-ol is OC=CCc1ccc2cccccc1-2.
What is the InChIKey of 3-azulen-1-ylprop-1-en-1-ol?
The InChIKey is IULNLPGWVNRXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c14-10-4-6-12-9-8-11-5-2-1-3-7-13(11)12/h1-5,7-10,14H,6H2.
What are the key properties of 3-azulen-1-ylprop-1-en-1-ol?
3-azulen-1-ylprop-1-en-1-ol has a molecular weight of 184.24 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azulen-1-ylprop-1-en-1-ol is sourced from PubChem (CID 67644602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).