2-penta-1,4-dienoxyphenol

C11H12O2 — CID 70416089

IUPAC2-penta-1,4-dienoxyphenol
SMILESC=CCC=COc1ccccc1O
InChIInChI=1S/C11H12O2/c1-2-3-6-9-13-11-8-5-4-7-10(11)12/h2,4-9,12H,1,3H2
InChIKeyQRFKJMIYJYIVKJ-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.86
Rot. Bonds4

About 2-penta-1,4-dienoxyphenol

2-penta-1,4-dienoxyphenol (PubChem CID 70416089) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-penta-1,4-dienoxyphenol.

Molecular Properties

Compound Name2-penta-1,4-dienoxyphenol
PubChem CID70416089
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name2-penta-1,4-dienoxyphenol
SMILESC=CCC=COc1ccccc1O
InChIInChI=1S/C11H12O2/c1-2-3-6-9-13-11-8-5-4-7-10(11)12/h2,4-9,12H,1,3H2
InChIKeyQRFKJMIYJYIVKJ-UHFFFAOYSA-N
XLogP2.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-penta-1,4-dienoxyphenol with MolForge

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

Launch Full Analysis

Related Compounds

1-prop-1-enoxy-2-prop-2-enoxybenzene
CID 57352619
ethene;2-(2-hydroxyphenyl)peroxyphenol
CID 163415506
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
benzene-1,2-diol;bis(prop-2-enyl) carbonate
CID 23056283
2-(diazomethoxy)phenol
CID 154231053
3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate
CID 70271994
2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol
CID 18719544
1-(2-hydroxyphenoxy)ethyl prop-2-enoate
CID 18934210
1-ethenyl-4-ethylbenzene;(2-hydroxyphenyl) formate
CID 161433806
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473

Frequently Asked Questions

What is the IUPAC name of 2-penta-1,4-dienoxyphenol?
The IUPAC name of 2-penta-1,4-dienoxyphenol (CID 70416089) is 2-penta-1,4-dienoxyphenol.
What is the SMILES notation for 2-penta-1,4-dienoxyphenol?
The canonical SMILES for 2-penta-1,4-dienoxyphenol is C=CCC=COc1ccccc1O.
What is the InChIKey of 2-penta-1,4-dienoxyphenol?
The InChIKey is QRFKJMIYJYIVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-3-6-9-13-11-8-5-4-7-10(11)12/h2,4-9,12H,1,3H2.
What are the key properties of 2-penta-1,4-dienoxyphenol?
2-penta-1,4-dienoxyphenol has a molecular weight of 176.21 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-penta-1,4-dienoxyphenol is sourced from PubChem (CID 70416089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).