(1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one

C19H18O5 — CID 51036573

IUPAC(1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one
SMILESCOc1ccc(O)cc1/C=C/C(=O)/C=C/c1cc(O)ccc1OC
InChIInChI=1S/C19H18O5/c1-23-18-9-7-16(21)11-13(18)3-5-15(20)6-4-14-12-17(22)8-10-19(14)24-2/h3-12,21-22H,1-2H3/b5-3+,6-4+
InChIKeyKTYWGQJOAXQBNU-GGWOSOGESA-N
MW326.35 g/mol
LogP3.41
Rot. Bonds6

About (1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one

(1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one (PubChem CID 51036573) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is (1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one
PubChem CID51036573
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name(1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one
SMILESCOc1ccc(O)cc1/C=C/C(=O)/C=C/c1cc(O)ccc1OC
InChIInChI=1S/C19H18O5/c1-23-18-9-7-16(21)11-13(18)3-5-15(20)6-4-14-12-17(22)8-10-19(14)24-2/h3-12,21-22H,1-2H3/b5-3+,6-4+
InChIKeyKTYWGQJOAXQBNU-GGWOSOGESA-N
XLogP3.41
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(5-hydroxy-2-methoxyphenyl)but-3-enal
CID 170481707
6-(2,5-dimethoxyphenyl)-4-oxohexa-2,5-dienoic acid
CID 54025408
(E)-3-(5-bromo-2-methoxyphenyl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
CID 19540764
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
dichloro-[(5-hydroxy-2-methoxyphenyl)methylidene]ruthenium
CID 139241158
(E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
CID 172559232
(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl chloride
CID 19317726
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355
1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
CID 139808066
(1E,4E)-1-(2,3,4-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
CID 46231643
(1E,4E)-1-(4-hydroxy-3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)penta-1,4-dien-3-one
CID 127040112
(E)-3-(5-chloro-2-methoxyphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 17341111

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one (CID 51036573) is (1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one is COc1ccc(O)cc1/C=C/C(=O)/C=C/c1cc(O)ccc1OC.
What is the InChIKey of (1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one?
The InChIKey is KTYWGQJOAXQBNU-GGWOSOGESA-N. The full InChI is InChI=1S/C19H18O5/c1-23-18-9-7-16(21)11-13(18)3-5-15(20)6-4-14-12-17(22)8-10-19(14)24-2/h3-12,21-22H,1-2H3/b5-3+,6-4+.
What are the key properties of (1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one?
(1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one has a molecular weight of 326.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 51036573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).