(E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

C16H14O4 — CID 89091935

IUPAC(E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
SMILESCc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O)c1
InChIInChI=1S/C16H14O4/c1-10-8-14(19)16(15(20)9-10)13(18)7-4-11-2-5-12(17)6-3-11/h2-9,17,19-20H,1H3/b7-4+
InChIKeyGYKQHMKCTZTKFQ-QPJJXVBHSA-N
MW270.28 g/mol
LogP3.01
Rot. Bonds3

About (E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

(E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one (PubChem CID 89091935) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
PubChem CID89091935
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
SMILESCc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O)c1
InChIInChI=1S/C16H14O4/c1-10-8-14(19)16(15(20)9-10)13(18)7-4-11-2-5-12(17)6-3-11/h2-9,17,19-20H,1H3/b7-4+
InChIKeyGYKQHMKCTZTKFQ-QPJJXVBHSA-N
XLogP3.01
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 85370109
1-(2,5-dihydroxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 71334768
(E)-3-(3,4-dihydroxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one
CID 14977375
4-(4-hydroxyphenyl)but-3-en-2-one
CID 159706417
(E)-3-(4-hydroxyphenyl)-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)prop-2-en-1-one
CID 169018349
1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25861
[4-[(E)-3-oxo-3-(2,4,6-trihydroxyphenyl)prop-1-enyl]phenyl] hydrogen sulfate
CID 131834450
(E)-3-[4-(4-fluorophenoxy)phenyl]-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
CID 129220919
(E)-1-(2-hydroxy-3,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 7575127
(E)-3-thiophen-3-yl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
CID 101145924
4-hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyl]-2-methoxy-5-methylbenzaldehyde
CID 90788180
3-(4-chlorophenyl)-1-(2,4-dihydroxy-6-methoxyphenyl)prop-2-en-1-one
CID 67218270

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one (CID 89091935) is (E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one is Cc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c(O)c1.
What is the InChIKey of (E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is GYKQHMKCTZTKFQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H14O4/c1-10-8-14(19)16(15(20)9-10)13(18)7-4-11-2-5-12(17)6-3-11/h2-9,17,19-20H,1H3/b7-4+.
What are the key properties of (E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one?
(E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 270.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,6-dihydroxy-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 89091935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).