1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione

C26H26O5 — CID 2731026

IUPAC1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
SMILESCOc1cc(C(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H26O5/c1-29-24-16-21(17-25(30-2)26(24)31-3)20(14-22(27)18-10-6-4-7-11-18)15-23(28)19-12-8-5-9-13-19/h4-13,16-17,20H,14-15H2,1-3H3
InChIKeyDXWLPAIRHYYWIF-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.34
Rot. Bonds10

About 1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione

1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione (PubChem CID 2731026) has the molecular formula C26H26O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is 1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione.

Molecular Properties

Compound Name1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
PubChem CID2731026
Molecular FormulaC26H26O5
Molecular Weight418.49 g/mol
Exact Mass418.18
IUPAC Name1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
SMILESCOc1cc(C(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H26O5/c1-29-24-16-21(17-25(30-2)26(24)31-3)20(14-22(27)18-10-6-4-7-11-18)15-23(28)19-12-8-5-9-13-19/h4-13,16-17,20H,14-15H2,1-3H3
InChIKeyDXWLPAIRHYYWIF-UHFFFAOYSA-N
XLogP5.34
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-chlorophenyl)-1,5-dioxo-5-(3,4,5-trimethoxyphenyl)pentan-3-yl]benzoic acid
CID 10458520
6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride
CID 67699495
(3R)-1,3-diphenylpentan-1-one
CID 11042799
4-(4-methoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile
CID 10498394
3-methyl-1-(3,4,5-trimethoxyphenyl)butan-1-one
CID 93191215
1-(3-methoxyphenyl)-3-phenylpentan-1-one
CID 72785339
ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate
CID 134847437
3-amino-4-pyridin-2-yl-1-(3,4,5-trimethoxyphenyl)butan-1-one
CID 67619578
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 9399555
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
CID 57258892
(2R)-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 40634420

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione?
The IUPAC name of 1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione (CID 2731026) is 1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione.
What is the SMILES notation for 1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione?
The canonical SMILES for 1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione is COc1cc(C(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione?
The InChIKey is DXWLPAIRHYYWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O5/c1-29-24-16-21(17-25(30-2)26(24)31-3)20(14-22(27)18-10-6-4-7-11-18)15-23(28)19-12-8-5-9-13-19/h4-13,16-17,20H,14-15H2,1-3H3.
What are the key properties of 1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione?
1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione has a molecular weight of 418.49 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione is sourced from PubChem (CID 2731026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).