(E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one

C18H18O3 — CID 11550934

IUPAC(E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
SMILESCOc1cc(/C=C/C(=O)CCc2ccccc2)ccc1O
InChIInChI=1S/C18H18O3/c1-21-18-13-15(9-12-17(18)20)8-11-16(19)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13,20H,7,10H2,1H3/b11-8+
InChIKeyTVBPFVFIJYGRDA-DHZHZOJOSA-N
MW282.34 g/mol
LogP3.62
Rot. Bonds6

About (E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one

(E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one (PubChem CID 11550934) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
PubChem CID11550934
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
SMILESCOc1cc(/C=C/C(=O)CCc2ccccc2)ccc1O
InChIInChI=1S/C18H18O3/c1-21-18-13-15(9-12-17(18)20)8-11-16(19)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13,20H,7,10H2,1H3/b11-8+
InChIKeyTVBPFVFIJYGRDA-DHZHZOJOSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 54335344
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674
(E)-1-(3,4-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)pent-1-en-3-one
CID 71681706
(4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-4,6-dien-3-one
CID 5372374
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516
(E)-3-(4-hydroxy-3-methoxyphenyl)-N'-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-N,N'-bis(2-phenylethyl)prop-2-enehydrazide
CID 102432376
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;silver
CID 174575212
(E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 162400827
2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-phenylbutanoic acid
CID 90970881
3-[4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]phenyl]propanoic acid
CID 155521354
(E)-4-(4-hydroxy-3-methoxyphenyl)-1-phenylsulfanylbut-3-en-2-one
CID 14407222

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one?
The IUPAC name of (E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one (CID 11550934) is (E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one.
What is the SMILES notation for (E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one?
The canonical SMILES for (E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one is COc1cc(/C=C/C(=O)CCc2ccccc2)ccc1O.
What is the InChIKey of (E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one?
The InChIKey is TVBPFVFIJYGRDA-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H18O3/c1-21-18-13-15(9-12-17(18)20)8-11-16(19)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13,20H,7,10H2,1H3/b11-8+.
What are the key properties of (E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one?
(E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one has a molecular weight of 282.34 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one is sourced from PubChem (CID 11550934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).