(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one

C19H20O3 — CID 23786382

IUPAC(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one
SMILESO=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1
InChIInChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2/b4-2+
InChIKeyGIKJADRKBZHVCY-DUXPYHPUSA-N
MW296.37 g/mol
LogP3.79
Rot. Bonds7

About (E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one

(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one (PubChem CID 23786382) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one.

Molecular Properties

Compound Name(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one
PubChem CID23786382
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one
SMILESO=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1
InChIInChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2/b4-2+
InChIKeyGIKJADRKBZHVCY-DUXPYHPUSA-N
XLogP3.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one?
The IUPAC name of (E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one (CID 23786382) is (E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one.
What is the SMILES notation for (E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one?
The canonical SMILES for (E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one is O=C(/C=C/CCc1ccc(O)cc1)CCc1ccc(O)cc1.
What is the InChIKey of (E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one?
The InChIKey is GIKJADRKBZHVCY-DUXPYHPUSA-N. The full InChI is InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2/b4-2+.
What are the key properties of (E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one?
(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one has a molecular weight of 296.37 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one is sourced from PubChem (CID 23786382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).