(E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one

C16H14O5 — CID 172559232

IUPAC(E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(O)ccc1/C=C/C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C16H14O5/c1-21-16-9-12(17)4-2-10(16)3-5-15(20)11-6-13(18)8-14(19)7-11/h2-9,17-19H,1H3/b5-3+
InChIKeyHYHRBXVISLHBNH-HWKANZROSA-N
MW286.28 g/mol
LogP2.71
Rot. Bonds4

About (E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one

(E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one (PubChem CID 172559232) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is (E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
PubChem CID172559232
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name(E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(O)ccc1/C=C/C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C16H14O5/c1-21-16-9-12(17)4-2-10(16)3-5-15(20)11-6-13(18)8-14(19)7-11/h2-9,17-19H,1H3/b5-3+
InChIKeyHYHRBXVISLHBNH-HWKANZROSA-N
XLogP2.71
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
CID 139808066
(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 10131464
(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 10614151
1-(4-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 3317732
3-methoxy-4-[(E)-3-oxo-3-(3,4,5-trihydroxyphenyl)prop-1-enyl]benzonitrile
CID 172559228
(E)-3-(3,5-dimethoxy-2-methylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 67777793
3-(4-hydroxy-2-methoxyphenyl)-1-(3,5,5-trimethyl-6,7-dihydro-4H-2-benzothiophen-1-yl)prop-2-en-1-one
CID 67189208
(1E,4E)-1,5-bis(5-hydroxy-2-methoxyphenyl)penta-1,4-dien-3-one
CID 51036573
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
(E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 44587607
3-(4-hydroxy-2-methoxyphenyl)prop-2-enenitrile
CID 169483334
(E)-3-(4,5-dimethoxy-2-nitrophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
CID 9448255

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one (CID 172559232) is (E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one is COc1cc(O)ccc1/C=C/C(=O)c1cc(O)cc(O)c1.
What is the InChIKey of (E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one?
The InChIKey is HYHRBXVISLHBNH-HWKANZROSA-N. The full InChI is InChI=1S/C16H14O5/c1-21-16-9-12(17)4-2-10(16)3-5-15(20)11-6-13(18)8-14(19)7-11/h2-9,17-19H,1H3/b5-3+.
What are the key properties of (E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one?
(E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one has a molecular weight of 286.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 172559232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).