(1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one

C19H18O4 — CID 171390733

IUPAC(1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one
SMILESCCOc1cc(/C=C/C(=O)/C=C(\O)c2ccccc2)ccc1O
InChIInChI=1S/C19H18O4/c1-2-23-19-12-14(9-11-17(19)21)8-10-16(20)13-18(22)15-6-4-3-5-7-15/h3-13,21-22H,2H2,1H3/b10-8+,18-13-
InChIKeyAHRQRUJZLDRSHR-FUIQUSNNSA-N
MW310.35 g/mol
LogP3.97
Rot. Bonds6

About (1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one

(1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one (PubChem CID 171390733) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one
PubChem CID171390733
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name(1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one
SMILESCCOc1cc(/C=C/C(=O)/C=C(\O)c2ccccc2)ccc1O
InChIInChI=1S/C19H18O4/c1-2-23-19-12-14(9-11-17(19)21)8-10-16(20)13-18(22)15-6-4-3-5-7-15/h3-13,21-22H,2H2,1H3/b10-8+,18-13-
InChIKeyAHRQRUJZLDRSHR-FUIQUSNNSA-N
XLogP3.97
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1Z,4E)-1-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)penta-1,4-dien-3-one
CID 71770064
(E)-3-(3-ethoxy-4-hydroxyphenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 82185212
1-(3-ethoxy-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 67010274
(E)-1-(3,4-dimethoxyphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-en-1-one
CID 8859171
(E)-3-(3-ethoxy-4-hydroxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CID 27112651
(E)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enal
CID 82362855
(E)-3-(3-ethoxy-4-hydroxyphenyl)-1-(5-ethylthiophen-2-yl)prop-2-en-1-one
CID 34049038
(E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-en-1-one
CID 6019404
bis((1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one);zinc
CID 135406700
3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one
CID 2930717
(E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid
CID 89404903
4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol
CID 135675850

Frequently Asked Questions

What is the IUPAC name of (1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one?
The IUPAC name of (1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one (CID 171390733) is (1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one.
What is the SMILES notation for (1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one?
The canonical SMILES for (1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one is CCOc1cc(/C=C/C(=O)/C=C(\O)c2ccccc2)ccc1O.
What is the InChIKey of (1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one?
The InChIKey is AHRQRUJZLDRSHR-FUIQUSNNSA-N. The full InChI is InChI=1S/C19H18O4/c1-2-23-19-12-14(9-11-17(19)21)8-10-16(20)13-18(22)15-6-4-3-5-7-15/h3-13,21-22H,2H2,1H3/b10-8+,18-13-.
What are the key properties of (1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one?
(1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one has a molecular weight of 310.35 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one is sourced from PubChem (CID 171390733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).