4-(5-hydroxy-2-methoxyphenyl)but-3-enal

C11H12O3 — CID 170481707

IUPAC4-(5-hydroxy-2-methoxyphenyl)but-3-enal
SMILESCOc1ccc(O)cc1C=CCC=O
InChIInChI=1S/C11H12O3/c1-14-11-6-5-10(13)8-9(11)4-2-3-7-12/h2,4-8,13H,3H2,1H3
InChIKeyTYDRMZOQLDYTFV-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.00
Rot. Bonds4

About 4-(5-hydroxy-2-methoxyphenyl)but-3-enal

4-(5-hydroxy-2-methoxyphenyl)but-3-enal (PubChem CID 170481707) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-(5-hydroxy-2-methoxyphenyl)but-3-enal.

Molecular Properties

Compound Name4-(5-hydroxy-2-methoxyphenyl)but-3-enal
PubChem CID170481707
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-(5-hydroxy-2-methoxyphenyl)but-3-enal
SMILESCOc1ccc(O)cc1C=CCC=O
InChIInChI=1S/C11H12O3/c1-14-11-6-5-10(13)8-9(11)4-2-3-7-12/h2,4-8,13H,3H2,1H3
InChIKeyTYDRMZOQLDYTFV-UHFFFAOYSA-N
XLogP2.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one
CID 51036573
(E)-4-(3,4-dimethoxyphenyl)but-3-enal
CID 87333792
dichloro-[(5-hydroxy-2-methoxyphenyl)methylidene]ruthenium
CID 139241158
4-(3-chloro-4-methoxyphenyl)but-3-enal
CID 91126209
3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453813
3-(5-amino-2-methoxyphenyl)prop-2-en-1-ol
CID 169453414
(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol
CID 143867297
4-(2,5-dimethoxyphenyl)but-3-en-1-ol
CID 170476817
methyl 3-(3-chloroprop-1-enyl)-4-methoxybenzoate
CID 169478133
4-methoxy-3-(4-sulfanylbut-1-enyl)benzoic acid
CID 170478902
4-(2,5-dimethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 79592499
2-hydroxy-6-(3-hydroxyprop-1-enyl)-3-methoxybenzaldehyde
CID 169453822

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-2-methoxyphenyl)but-3-enal?
The IUPAC name of 4-(5-hydroxy-2-methoxyphenyl)but-3-enal (CID 170481707) is 4-(5-hydroxy-2-methoxyphenyl)but-3-enal.
What is the SMILES notation for 4-(5-hydroxy-2-methoxyphenyl)but-3-enal?
The canonical SMILES for 4-(5-hydroxy-2-methoxyphenyl)but-3-enal is COc1ccc(O)cc1C=CCC=O.
What is the InChIKey of 4-(5-hydroxy-2-methoxyphenyl)but-3-enal?
The InChIKey is TYDRMZOQLDYTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-14-11-6-5-10(13)8-9(11)4-2-3-7-12/h2,4-8,13H,3H2,1H3.
What are the key properties of 4-(5-hydroxy-2-methoxyphenyl)but-3-enal?
4-(5-hydroxy-2-methoxyphenyl)but-3-enal has a molecular weight of 192.21 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-2-methoxyphenyl)but-3-enal is sourced from PubChem (CID 170481707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).