2-penta-1,3-dien-2-ylphenol

C11H12O — CID 123148511

IUPAC2-penta-1,3-dien-2-ylphenol
SMILESC=C(C=CC)c1ccccc1O
InChIInChI=1S/C11H12O/c1-3-6-9(2)10-7-4-5-8-11(10)12/h3-8,12H,2H2,1H3
InChIKeyGBAHNOSSZCJNGX-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.98
Rot. Bonds2

About 2-penta-1,3-dien-2-ylphenol

2-penta-1,3-dien-2-ylphenol (PubChem CID 123148511) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-penta-1,3-dien-2-ylphenol.

Molecular Properties

Compound Name2-penta-1,3-dien-2-ylphenol
PubChem CID123148511
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name2-penta-1,3-dien-2-ylphenol
SMILESC=C(C=CC)c1ccccc1O
InChIInChI=1S/C11H12O/c1-3-6-9(2)10-7-4-5-8-11(10)12/h3-8,12H,2H2,1H3
InChIKeyGBAHNOSSZCJNGX-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

1-(iodomethyl)-2-[(3Z)-penta-1,3-dien-2-yl]benzene
CID 88966000
2-[(3Z)-penta-1,3-dien-2-yl]benzenesulfinic acid
CID 118181625
1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene
CID 144862255
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
actinium;2-prop-1-en-2-ylphenol
CID 20669246
1-methyl-2-[(3E,5Z)-4-(2-methylphenyl)hepta-1,3,5-trien-2-yl]benzene
CID 144508222
3-methylbuta-1,3-dienyl 2-hydroxybenzoate
CID 141031106
1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene
CID 70261829
2-(1-iodoethenyl)phenol
CID 88963209
1-phenylethenyl but-2-enoate
CID 68623165
(3-but-2-enoyloxy-2-hydroxypropyl) 2-hydroxybenzoate
CID 57170271
3-(2-hydroxyphenyl)but-3-en-2-one
CID 15090741

Frequently Asked Questions

What is the IUPAC name of 2-penta-1,3-dien-2-ylphenol?
The IUPAC name of 2-penta-1,3-dien-2-ylphenol (CID 123148511) is 2-penta-1,3-dien-2-ylphenol.
What is the SMILES notation for 2-penta-1,3-dien-2-ylphenol?
The canonical SMILES for 2-penta-1,3-dien-2-ylphenol is C=C(C=CC)c1ccccc1O.
What is the InChIKey of 2-penta-1,3-dien-2-ylphenol?
The InChIKey is GBAHNOSSZCJNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-3-6-9(2)10-7-4-5-8-11(10)12/h3-8,12H,2H2,1H3.
What are the key properties of 2-penta-1,3-dien-2-ylphenol?
2-penta-1,3-dien-2-ylphenol 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-dien-2-ylphenol is sourced from PubChem (CID 123148511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).