5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one

C19H18O2 — CID 75115780

IUPAC5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one
SMILESO=C(C=C(O)C=Cc1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H18O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,15,20H,12,14H2
InChIKeyMJCANANSGRMBIC-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.34
Rot. Bonds6

About 5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one

5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one (PubChem CID 75115780) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one.

Molecular Properties

Compound Name5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one
PubChem CID75115780
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one
SMILESO=C(C=C(O)C=Cc1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H18O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,15,20H,12,14H2
InChIKeyMJCANANSGRMBIC-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(4Z,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one
CID 126592759
3-phenylpropanoic acid;(E)-3-phenylprop-2-enoic acid
CID 175391892
(E)-1,7-bis(4-hydroxyphenyl)hept-1-ene-3,5-dione;(4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-4,6-dien-3-one
CID 157010059
(E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 162400827
1-[4-(dimethylamino)phenyl]-5-phenylpent-1-en-3-one
CID 2750650
(1E,4Z,6E)-5-hydroxy-1,7-diphenylhepta-1,4,6-trien-3-one
CID 6474898
3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide
CID 108573771
(E)-3-[4-(3-phenylpropanoylamino)phenyl]prop-2-enoic acid
CID 45387481
(E)-1,7-diphenylhept-4-en-3-one;ethane
CID 91159824
(E)-N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 11184674
(4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-4,6-dien-3-one
CID 5372374
(E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 11550934

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one?
The IUPAC name of 5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one (CID 75115780) is 5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one.
What is the SMILES notation for 5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one?
The canonical SMILES for 5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one is O=C(C=C(O)C=Cc1ccccc1)CCc1ccccc1.
What is the InChIKey of 5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one?
The InChIKey is MJCANANSGRMBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,15,20H,12,14H2.
What are the key properties of 5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one?
5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one has a molecular weight of 278.35 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one is sourced from PubChem (CID 75115780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).