2,3,4-trihydroxy-1,5-diphenylpentane-1,5-dione

C17H16O5 — CID 19753340

IUPAC2,3,4-trihydroxy-1,5-diphenylpentane-1,5-dione
SMILESO=C(c1ccccc1)C(O)C(O)C(O)C(=O)c1ccccc1
InChIInChI=1S/C17H16O5/c18-13(11-7-3-1-4-8-11)15(20)17(22)16(21)14(19)12-9-5-2-6-10-12/h1-10,15-17,20-22H
InChIKeyVELQEDMHXJTXQI-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.83
Rot. Bonds6

About 2,3,4-trihydroxy-1,5-diphenylpentane-1,5-dione

2,3,4-trihydroxy-1,5-diphenylpentane-1,5-dione (PubChem CID 19753340) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2,3,4-trihydroxy-1,5-diphenylpentane-1,5-dione.

Molecular Properties

Compound Name2,3,4-trihydroxy-1,5-diphenylpentane-1,5-dione
PubChem CID19753340
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name2,3,4-trihydroxy-1,5-diphenylpentane-1,5-dione
SMILESO=C(c1ccccc1)C(O)C(O)C(O)C(=O)c1ccccc1
InChIInChI=1S/C17H16O5/c18-13(11-7-3-1-4-8-11)15(20)17(22)16(21)14(19)12-9-5-2-6-10-12/h1-10,15-17,20-22H
InChIKeyVELQEDMHXJTXQI-UHFFFAOYSA-N
XLogP0.83
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trihydroxy-1,5-diphenylpentane-1,5-dione?
The IUPAC name of 2,3,4-trihydroxy-1,5-diphenylpentane-1,5-dione (CID 19753340) is 2,3,4-trihydroxy-1,5-diphenylpentane-1,5-dione.
What is the SMILES notation for 2,3,4-trihydroxy-1,5-diphenylpentane-1,5-dione?
The canonical SMILES for 2,3,4-trihydroxy-1,5-diphenylpentane-1,5-dione is O=C(c1ccccc1)C(O)C(O)C(O)C(=O)c1ccccc1.
What is the InChIKey of 2,3,4-trihydroxy-1,5-diphenylpentane-1,5-dione?
The InChIKey is VELQEDMHXJTXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c18-13(11-7-3-1-4-8-11)15(20)17(22)16(21)14(19)12-9-5-2-6-10-12/h1-10,15-17,20-22H.
What are the key properties of 2,3,4-trihydroxy-1,5-diphenylpentane-1,5-dione?
2,3,4-trihydroxy-1,5-diphenylpentane-1,5-dione has a molecular weight of 300.31 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trihydroxy-1,5-diphenylpentane-1,5-dione is sourced from PubChem (CID 19753340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).