(E)-1-(2,5-dihydroxyphenyl)-5-phenylpent-1-en-3-one

C17H16O3 — CID 155565163

IUPAC(E)-1-(2,5-dihydroxyphenyl)-5-phenylpent-1-en-3-one
SMILESO=C(/C=C/c1cc(O)ccc1O)CCc1ccccc1
InChIInChI=1S/C17H16O3/c18-15(8-6-13-4-2-1-3-5-13)9-7-14-12-16(19)10-11-17(14)20/h1-5,7,9-12,19-20H,6,8H2/b9-7+
InChIKeyZAAMCRCSDBCHED-VQHVLOKHSA-N
MW268.31 g/mol
LogP3.31
Rot. Bonds5

About (E)-1-(2,5-dihydroxyphenyl)-5-phenylpent-1-en-3-one

(E)-1-(2,5-dihydroxyphenyl)-5-phenylpent-1-en-3-one (PubChem CID 155565163) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (E)-1-(2,5-dihydroxyphenyl)-5-phenylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-1-(2,5-dihydroxyphenyl)-5-phenylpent-1-en-3-one
PubChem CID155565163
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(E)-1-(2,5-dihydroxyphenyl)-5-phenylpent-1-en-3-one
SMILESO=C(/C=C/c1cc(O)ccc1O)CCc1ccccc1
InChIInChI=1S/C17H16O3/c18-15(8-6-13-4-2-1-3-5-13)9-7-14-12-16(19)10-11-17(14)20/h1-5,7,9-12,19-20H,6,8H2/b9-7+
InChIKeyZAAMCRCSDBCHED-VQHVLOKHSA-N
XLogP3.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E,6E)-1-(2,5-dihydroxyphenyl)-7-(3-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 155518714
(E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 11550934
1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 54335344
(E)-1-(2,3-dihydroxyphenyl)-5-(2,5-dihydroxyphenyl)pent-4-ene-1,3-dione
CID 155555075
(E)-1-(3,4-dihydroxyphenyl)-6-phenylhex-1-en-3-one
CID 14407195
2-phenylethyl (E)-3-(2,4-dihydroxyphenyl)prop-2-enoate
CID 102321719
2-(2-phenylethenyl)benzene-1,4-diol
CID 54196246
benzyl N-[3-(2,5-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169472876
(E)-1,7-diphenylhept-4-en-3-one;ethane
CID 91159824
ethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
CID 6441630
(E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 162400827
1-[4-(dimethylamino)phenyl]-5-phenylpent-1-en-3-one
CID 2750650

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,5-dihydroxyphenyl)-5-phenylpent-1-en-3-one?
The IUPAC name of (E)-1-(2,5-dihydroxyphenyl)-5-phenylpent-1-en-3-one (CID 155565163) is (E)-1-(2,5-dihydroxyphenyl)-5-phenylpent-1-en-3-one.
What is the SMILES notation for (E)-1-(2,5-dihydroxyphenyl)-5-phenylpent-1-en-3-one?
The canonical SMILES for (E)-1-(2,5-dihydroxyphenyl)-5-phenylpent-1-en-3-one is O=C(/C=C/c1cc(O)ccc1O)CCc1ccccc1.
What is the InChIKey of (E)-1-(2,5-dihydroxyphenyl)-5-phenylpent-1-en-3-one?
The InChIKey is ZAAMCRCSDBCHED-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H16O3/c18-15(8-6-13-4-2-1-3-5-13)9-7-14-12-16(19)10-11-17(14)20/h1-5,7,9-12,19-20H,6,8H2/b9-7+.
What are the key properties of (E)-1-(2,5-dihydroxyphenyl)-5-phenylpent-1-en-3-one?
(E)-1-(2,5-dihydroxyphenyl)-5-phenylpent-1-en-3-one has a molecular weight of 268.31 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,5-dihydroxyphenyl)-5-phenylpent-1-en-3-one is sourced from PubChem (CID 155565163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).