(2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal

C15H18O4 — CID 51040851

IUPAC(2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal
SMILESCOc1cc(OC)c(/C=C/C(C)=C/C=O)c(OC)c1
InChIInChI=1S/C15H18O4/c1-11(7-8-16)5-6-13-14(18-3)9-12(17-2)10-15(13)19-4/h5-10H,1-4H3/b6-5+,11-7+
InChIKeyNQBHISDRFQJADZ-LCAICKDSSA-N
MW262.31 g/mol
LogP2.87
Rot. Bonds6

About (2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal

(2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal (PubChem CID 51040851) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal
PubChem CID51040851
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name(2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal
SMILESCOc1cc(OC)c(/C=C/C(C)=C/C=O)c(OC)c1
InChIInChI=1S/C15H18O4/c1-11(7-8-16)5-6-13-14(18-3)9-12(17-2)10-15(13)19-4/h5-10H,1-4H3/b6-5+,11-7+
InChIKeyNQBHISDRFQJADZ-LCAICKDSSA-N
XLogP2.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,6E,8E,10E,12E)-2,7,11-trimethyl-13-(2,4,6-trimethoxyphenyl)trideca-2,4,6,8,10,12-hexaenoic acid
CID 102176053
(1E,6E)-1,7-bis(2,4,6-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 155805094
1-(2,4-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 69051242
tert-butyl (E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoate
CID 42640185
(E)-1-(2,5-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 11046554
(2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal
CID 110204055
1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene
CID 643381
1-(4-hydroxy-3-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 85300913
4-(2,4,6-trimethoxyphenyl)-1-[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylbut-3-en-2-one
CID 69485084
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 70696711
(E)-1-(2-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 6080180
3-chloro-3-(2,4-dimethoxyphenyl)prop-2-enal
CID 86190919

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal?
The IUPAC name of (2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal (CID 51040851) is (2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal.
What is the SMILES notation for (2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal?
The canonical SMILES for (2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal is COc1cc(OC)c(/C=C/C(C)=C/C=O)c(OC)c1.
What is the InChIKey of (2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal?
The InChIKey is NQBHISDRFQJADZ-LCAICKDSSA-N. The full InChI is InChI=1S/C15H18O4/c1-11(7-8-16)5-6-13-14(18-3)9-12(17-2)10-15(13)19-4/h5-10H,1-4H3/b6-5+,11-7+.
What are the key properties of (2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal?
(2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal has a molecular weight of 262.31 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal is sourced from PubChem (CID 51040851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).