(E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol

C12H16O3 — CID 135008625

IUPAC(E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol
SMILESCOc1ccc(OC)c(C/C=C/CO)c1
InChIInChI=1S/C12H16O3/c1-14-11-6-7-12(15-2)10(9-11)5-3-4-8-13/h3-4,6-7,9,13H,5,8H2,1-2H3/b4-3+
InChIKeyYKPJAJNCGXSHNN-ONEGZZNKSA-N
MW208.26 g/mol
LogP1.79
Rot. Bonds5

About (E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol

(E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol (PubChem CID 135008625) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol
PubChem CID135008625
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol
SMILESCOc1ccc(OC)c(C/C=C/CO)c1
InChIInChI=1S/C12H16O3/c1-14-11-6-7-12(15-2)10(9-11)5-3-4-8-13/h3-4,6-7,9,13H,5,8H2,1-2H3/b4-3+
InChIKeyYKPJAJNCGXSHNN-ONEGZZNKSA-N
XLogP1.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol
CID 177461961
2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol
CID 116930738
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613643
1,4-dimethoxy-2-(nitrosomethyl)benzene
CID 143996904
2-(ethoxymethyl)-1,4-dimethoxybenzene
CID 12068886
2-[2-[2-[2-[(2,5-dimethoxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]-1,4-dimethoxybenzene
CID 15109386
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine
CID 71777141
2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene
CID 82255120
(2,5-dimethoxyphenyl)methyldiazene
CID 123249085
1-(2,5-dimethoxyphenyl)-3-sulfanylpropan-2-one
CID 58139295
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol?
The IUPAC name of (E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol (CID 135008625) is (E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol?
The canonical SMILES for (E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol is COc1ccc(OC)c(C/C=C/CO)c1.
What is the InChIKey of (E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol?
The InChIKey is YKPJAJNCGXSHNN-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-11-6-7-12(15-2)10(9-11)5-3-4-8-13/h3-4,6-7,9,13H,5,8H2,1-2H3/b4-3+.
What are the key properties of (E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol?
(E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol has a molecular weight of 208.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol is sourced from PubChem (CID 135008625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).