(4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one

C23H32O3 — CID 71574038

IUPAC(4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one
SMILESCC(C)=CCC/C(C)=C/C/C=C(\C)C(C)CC(=O)c1ccc(O)cc1O
InChIInChI=1S/C23H32O3/c1-16(2)8-6-9-17(3)10-7-11-18(4)19(5)14-22(25)21-13-12-20(24)15-23(21)26/h8,10-13,15,19,24,26H,6-7,9,14H2,1-5H3/b17-10+,18-11+
InChIKeyHFXVGVAUUXMKQO-ODPUSEOTSA-N
MW356.51 g/mol
LogP6.34
Rot. Bonds9

About (4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one

(4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one (PubChem CID 71574038) has the molecular formula C23H32O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is (4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one.

Molecular Properties

Compound Name(4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one
PubChem CID71574038
Molecular FormulaC23H32O3
Molecular Weight356.51 g/mol
Exact Mass356.24
IUPAC Name(4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one
SMILESCC(C)=CCC/C(C)=C/C/C=C(\C)C(C)CC(=O)c1ccc(O)cc1O
InChIInChI=1S/C23H32O3/c1-16(2)8-6-9-17(3)10-7-11-18(4)19(5)14-22(25)21-13-12-20(24)15-23(21)26/h8,10-13,15,19,24,26H,6-7,9,14H2,1-5H3/b17-10+,18-11+
InChIKeyHFXVGVAUUXMKQO-ODPUSEOTSA-N
XLogP6.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one with MolForge

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Related Compounds

[(10E)-14-(2,4-dihydroxyphenyl)-6-hydroxy-2,6,10-trimethyl-14-oxotetradeca-2,10-dien-7-yl] acetate
CID 71574037
4-hydroxy-2-[(2E,6E,10E)-3,7,11,15-tetramethyl(113C)hexadeca-2,6,10,14-tetraenyl](13C)benzoic acid
CID 11338875
1-(2,4-dihydroxyphenyl)-3-[2-(3,7-dimethylocta-2,6-dienyl)-3,4-dimethoxyphenyl]propan-1-one
CID 57243748
4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid
CID 54278748
(3R,4S,5R)-3-(2,4-dihydroxybenzoyl)-5-(4,8-dimethylnona-3,7-dienyl)-4,5-dimethyloxolan-2-one
CID 162990352
1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,6-dihydroxyphenyl]-2-hydroxyethanone
CID 24761036
(2R)-1-[2-(3,7-dimethylocta-2,6-dienoxy)-4,6-dihydroxyphenyl]-2-methylbutan-1-one
CID 163096096
1-(2,5-dihydroxyphenyl)-3,4-dimethylpentan-1-one
CID 91141128
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
(2Z,5E,9E)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-11-hydroxy-6,10-dimethylundeca-2,5,9-trienoic acid
CID 139590276
(3E)-1-(2,4-dihydroxyphenyl)-3-methylhexa-3,5-dien-1-one
CID 143932136
[2,4-dihydroxy-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)phenyl] acetate
CID 163066717

Frequently Asked Questions

What is the IUPAC name of (4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one?
The IUPAC name of (4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one (CID 71574038) is (4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one.
What is the SMILES notation for (4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one?
The canonical SMILES for (4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one is CC(C)=CCC/C(C)=C/C/C=C(\C)C(C)CC(=O)c1ccc(O)cc1O.
What is the InChIKey of (4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one?
The InChIKey is HFXVGVAUUXMKQO-ODPUSEOTSA-N. The full InChI is InChI=1S/C23H32O3/c1-16(2)8-6-9-17(3)10-7-11-18(4)19(5)14-22(25)21-13-12-20(24)15-23(21)26/h8,10-13,15,19,24,26H,6-7,9,14H2,1-5H3/b17-10+,18-11+.
What are the key properties of (4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one?
(4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one has a molecular weight of 356.51 g/mol, XLogP of 6.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7E)-1-(2,4-dihydroxyphenyl)-3,4,8,12-tetramethyltrideca-4,7,11-trien-1-one is sourced from PubChem (CID 71574038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).