2-(4-methylpenta-2,4-dienyl)phenol

C12H14O — CID 141457123

IUPAC2-(4-methylpenta-2,4-dienyl)phenol
SMILESC=C(C)C=CCc1ccccc1O
InChIInChI=1S/C12H14O/c1-10(2)6-5-8-11-7-3-4-9-12(11)13/h3-7,9,13H,1,8H2,2H3
InChIKeyDDWVLQCEPJTZEX-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.07
Rot. Bonds3

About 2-(4-methylpenta-2,4-dienyl)phenol

2-(4-methylpenta-2,4-dienyl)phenol (PubChem CID 141457123) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(4-methylpenta-2,4-dienyl)phenol.

Molecular Properties

Compound Name2-(4-methylpenta-2,4-dienyl)phenol
PubChem CID141457123
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2-(4-methylpenta-2,4-dienyl)phenol
SMILESC=C(C)C=CCc1ccccc1O
InChIInChI=1S/C12H14O/c1-10(2)6-5-8-11-7-3-4-9-12(11)13/h3-7,9,13H,1,8H2,2H3
InChIKeyDDWVLQCEPJTZEX-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.07
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-methylprop-2-enoic acid;2-prop-2-enylphenol
CID 70155060
4-(2-hydroxyphenyl)but-2-ene-1,1-diol
CID 57232134
2-(3-ethoxyprop-2-enyl)phenol
CID 66692750
formaldehyde;2-(hydroxymethyl)phenol
CID 69155710
2-(2-methyliminoethyl)phenol
CID 15310524
2-[(E)-hex-3-enyl]phenol
CID 21272840
boric acid;2-prop-2-enylphenol
CID 70457137
2-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]phenol
CID 162361533
(E)-5-(2-aminophenyl)pent-3-en-2-one
CID 23503586
2-(2-iminoethyl)phenol
CID 90112038
2-(3-methylbut-2-enyl)phenol;2-(3-methylbut-3-enyl)phenol;4-(3-methylbut-2-enyl)phenol;4-(3-methylbut-3-enyl)phenol
CID 157432582
sodium;ethoxyethane;hydride;2-prop-2-enylphenol
CID 173000215

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpenta-2,4-dienyl)phenol?
The IUPAC name of 2-(4-methylpenta-2,4-dienyl)phenol (CID 141457123) is 2-(4-methylpenta-2,4-dienyl)phenol.
What is the SMILES notation for 2-(4-methylpenta-2,4-dienyl)phenol?
The canonical SMILES for 2-(4-methylpenta-2,4-dienyl)phenol is C=C(C)C=CCc1ccccc1O.
What is the InChIKey of 2-(4-methylpenta-2,4-dienyl)phenol?
The InChIKey is DDWVLQCEPJTZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-10(2)6-5-8-11-7-3-4-9-12(11)13/h3-7,9,13H,1,8H2,2H3.
What are the key properties of 2-(4-methylpenta-2,4-dienyl)phenol?
2-(4-methylpenta-2,4-dienyl)phenol has a molecular weight of 174.24 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpenta-2,4-dienyl)phenol is sourced from PubChem (CID 141457123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).