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

C18H16O4 — CID 127037969

IUPAC(2E,4E)-5-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-one
SMILESCOc1ccc(/C=C/C=C/C(=O)c2ccc(O)cc2)c(O)c1
InChIInChI=1S/C18H16O4/c1-22-16-11-8-13(18(21)12-16)4-2-3-5-17(20)14-6-9-15(19)10-7-14/h2-12,19,21H,1H3/b4-2+,5-3+
InChIKeyOADVRJRCYQYFCM-ZUVMSYQZSA-N
MW296.32 g/mol
LogP3.56
Rot. Bonds5

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

(2E,4E)-5-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-one (PubChem CID 127037969) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2E,4E)-5-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-5-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-one
PubChem CID127037969
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name(2E,4E)-5-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-one
SMILESCOc1ccc(/C=C/C=C/C(=O)c2ccc(O)cc2)c(O)c1
InChIInChI=1S/C18H16O4/c1-22-16-11-8-13(18(21)12-16)4-2-3-5-17(20)14-6-9-15(19)10-7-14/h2-12,19,21H,1H3/b4-2+,5-3+
InChIKeyOADVRJRCYQYFCM-ZUVMSYQZSA-N
XLogP3.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.56
H-Bond Donors ≤ 52
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

3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 67082878
1-(4-chlorophenyl)-3-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 54369733
5-methoxy-2-[(E)-prop-1-enyl]phenol
CID 18539717
3-[2-hydroxy-4-(3-methylbut-1-enoxy)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 156775000
1-(2-hydroxy-4-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68553838
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
1-[2-hydroxy-5-[3-hydroxy-4-[3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 163103777
3-[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 54089027
(E)-3-(3,5-dimethoxy-2-methylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 67777793
5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 71384226
(2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 127040918
3-(2-hydroxy-4-methoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 70432171

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-5-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-one (CID 127037969) is (2E,4E)-5-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-5-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-5-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-one is COc1ccc(/C=C/C=C/C(=O)c2ccc(O)cc2)c(O)c1.
What is the InChIKey of (2E,4E)-5-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-one?
The InChIKey is OADVRJRCYQYFCM-ZUVMSYQZSA-N. The full InChI is InChI=1S/C18H16O4/c1-22-16-11-8-13(18(21)12-16)4-2-3-5-17(20)14-6-9-15(19)10-7-14/h2-12,19,21H,1H3/b4-2+,5-3+.
What are the key properties of (2E,4E)-5-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-one?
(2E,4E)-5-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-one has a molecular weight of 296.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-one is sourced from PubChem (CID 127037969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).