(Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal

C14H18O3 — CID 10752162

IUPAC(Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal
SMILESCOc1ccc(/C(=C\C=O)C(C)C)cc1OC
InChIInChI=1S/C14H18O3/c1-10(2)12(7-8-15)11-5-6-13(16-3)14(9-11)17-4/h5-10H,1-4H3/b12-7-
InChIKeyTUDQKEHYTJLXAI-GHXNOFRVSA-N
MW234.29 g/mol
LogP2.94
Rot. Bonds5

About (Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal

(Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal (PubChem CID 10752162) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal.

Molecular Properties

Compound Name(Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal
PubChem CID10752162
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal
SMILESCOc1ccc(/C(=C\C=O)C(C)C)cc1OC
InChIInChI=1S/C14H18O3/c1-10(2)12(7-8-15)11-5-6-13(16-3)14(9-11)17-4/h5-10H,1-4H3/b12-7-
InChIKeyTUDQKEHYTJLXAI-GHXNOFRVSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,3-bis(3,4-dimethoxyphenyl)prop-2-enal
CID 14347231
(Z)-3-bromo-3-(3,4-dimethoxyphenyl)prop-2-enal
CID 167435362
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
1-(3,4-dimethoxyphenyl)-3-methylbutane-1,2-dione
CID 94686678
4-methyl-3-phenylpent-2-enal
CID 86256900
4,4-bis(3,4-dimethoxyphenyl)but-3-en-2-one
CID 10154443
3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 116918171
3,4-dimethoxybenzoic acid;methanol
CID 144580050
(Z)-2-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enal
CID 12523502
(2S)-3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanenitrile
CID 34957180
[(2R)-1-amino-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 2592042
bis(3,4-dimethoxybenzoic acid);propane-1,2-diol
CID 70546989

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal?
The IUPAC name of (Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal (CID 10752162) is (Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal.
What is the SMILES notation for (Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal?
The canonical SMILES for (Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal is COc1ccc(/C(=C\C=O)C(C)C)cc1OC.
What is the InChIKey of (Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal?
The InChIKey is TUDQKEHYTJLXAI-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(2)12(7-8-15)11-5-6-13(16-3)14(9-11)17-4/h5-10H,1-4H3/b12-7-.
What are the key properties of (Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal?
(Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal has a molecular weight of 234.29 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal is sourced from PubChem (CID 10752162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).