2-penta-1,3-dienylphenol

C11H12O — CID 141162259

IUPAC2-penta-1,3-dienylphenol
SMILESCC=CC=Cc1ccccc1O
InChIInChI=1S/C11H12O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h2-9,12H,1H3
InChIKeyOAINZFHAOKAJGM-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.98
Rot. Bonds2

About 2-penta-1,3-dienylphenol

2-penta-1,3-dienylphenol (PubChem CID 141162259) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-penta-1,3-dienylphenol.

Molecular Properties

Compound Name2-penta-1,3-dienylphenol
PubChem CID141162259
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name2-penta-1,3-dienylphenol
SMILESCC=CC=Cc1ccccc1O
InChIInChI=1S/C11H12O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h2-9,12H,1H3
InChIKeyOAINZFHAOKAJGM-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(1Z,3Z)-hexa-1,3-dienyl]phenol
CID 89362238
3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-2-(hydroxymethyl)phenol
CID 56652490
deuterio-[2-[(1E,3E,5E)-hepta-1,3,5-trienyl]-6-hydroxyphenyl]methanone
CID 56652811
2-octa-1,3-dienylphenol
CID 54092888
(4E,6E,8E)-9-[2-[(1E,3E)-penta-1,3-dienyl]phenyl]nona-4,6,8-triene-2,3-diol
CID 58935080
(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585
methane;2-propan-2-yl-6-[(E)-prop-1-enyl]phenol;bis(2-[(E)-prop-1-enyl]phenol)
CID 167541647
3-(2-hydroxyphenyl)prop-2-ene-1,1-diol
CID 57308836
(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
ethane;2-[(Z)-pent-1-enyl]phenol
CID 142052125
2-[(Z)-2-(1-hydroxycyclopentyl)ethenyl]phenol
CID 10954674
2-(3-sulfanylprop-1-enyl)phenol
CID 169454568

Frequently Asked Questions

What is the IUPAC name of 2-penta-1,3-dienylphenol?
The IUPAC name of 2-penta-1,3-dienylphenol (CID 141162259) is 2-penta-1,3-dienylphenol.
What is the SMILES notation for 2-penta-1,3-dienylphenol?
The canonical SMILES for 2-penta-1,3-dienylphenol is CC=CC=Cc1ccccc1O.
What is the InChIKey of 2-penta-1,3-dienylphenol?
The InChIKey is OAINZFHAOKAJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h2-9,12H,1H3.
What are the key properties of 2-penta-1,3-dienylphenol?
2-penta-1,3-dienylphenol has a molecular weight of 160.22 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-penta-1,3-dienylphenol is sourced from PubChem (CID 141162259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).