(2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one

C19H18O4 — CID 127042887

IUPAC(2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one
SMILESCOc1cc(/C=C/C=C/C(=O)c2ccccc2)cc(OC)c1O
InChIInChI=1S/C19H18O4/c1-22-17-12-14(13-18(23-2)19(17)21)8-6-7-11-16(20)15-9-4-3-5-10-15/h3-13,21H,1-2H3/b8-6+,11-7+
InChIKeyCKYGHUXLQPNLRC-JMFBPXTISA-N
MW310.35 g/mol
LogP3.86
Rot. Bonds6

About (2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one

(2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one (PubChem CID 127042887) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one
PubChem CID127042887
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name(2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one
SMILESCOc1cc(/C=C/C=C/C(=O)c2ccccc2)cc(OC)c1O
InChIInChI=1S/C19H18O4/c1-22-17-12-14(13-18(23-2)19(17)21)8-6-7-11-16(20)15-9-4-3-5-10-15/h3-13,21H,1-2H3/b8-6+,11-7+
InChIKeyCKYGHUXLQPNLRC-JMFBPXTISA-N
XLogP3.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-1-(4-fluorophenyl)-5-(4-hydroxy-3,5-dimethoxyphenyl)penta-2,4-dien-1-one
CID 127037961
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 118712438
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
(2E,4E)-5-(4-hydroxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 134140486
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate
CID 54240947
3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one
CID 54421018
(E)-1-(2-fluorophenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 8855882
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
(Z)-3-[2-hydroxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-phenylprop-2-en-1-one
CID 118495376
(E)-1-(2,6-difluorophenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 8853497
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one (CID 127042887) is (2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one is COc1cc(/C=C/C=C/C(=O)c2ccccc2)cc(OC)c1O.
What is the InChIKey of (2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one?
The InChIKey is CKYGHUXLQPNLRC-JMFBPXTISA-N. The full InChI is InChI=1S/C19H18O4/c1-22-17-12-14(13-18(23-2)19(17)21)8-6-7-11-16(20)15-9-4-3-5-10-15/h3-13,21H,1-2H3/b8-6+,11-7+.
What are the key properties of (2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one?
(2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one has a molecular weight of 310.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 127042887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).