1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one

C29H26O7 — CID 174778705

IUPAC1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one
SMILESO=C(C(c1ccc(O)cc1)C(O)c1ccc(O)cc1)C(c1ccc(O)cc1)C(O)c1ccc(O)cc1
InChIInChI=1S/C29H26O7/c30-21-9-1-17(2-10-21)25(27(34)19-5-13-23(32)14-6-19)29(36)26(18-3-11-22(31)12-4-18)28(35)20-7-15-24(33)16-8-20/h1-16,25-28,30-35H
InChIKeyLAVFIUXXALKUJU-UHFFFAOYSA-N
MW486.52 g/mol
LogP4.41
Rot. Bonds8

About 1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one

1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one (PubChem CID 174778705) has the molecular formula C29H26O7 and a molecular weight of 486.52 g/mol. Its IUPAC name is 1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one.

Molecular Properties

Compound Name1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one
PubChem CID174778705
Molecular FormulaC29H26O7
Molecular Weight486.52 g/mol
Exact Mass486.17
IUPAC Name1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one
SMILESO=C(C(c1ccc(O)cc1)C(O)c1ccc(O)cc1)C(c1ccc(O)cc1)C(O)c1ccc(O)cc1
InChIInChI=1S/C29H26O7/c30-21-9-1-17(2-10-21)25(27(34)19-5-13-23(32)14-6-19)29(36)26(18-3-11-22(31)12-4-18)28(35)20-7-15-24(33)16-8-20/h1-16,25-28,30-35H
InChIKeyLAVFIUXXALKUJU-UHFFFAOYSA-N
XLogP4.41
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 54.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one?
The IUPAC name of 1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one (CID 174778705) is 1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one.
What is the SMILES notation for 1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one?
The canonical SMILES for 1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one is O=C(C(c1ccc(O)cc1)C(O)c1ccc(O)cc1)C(c1ccc(O)cc1)C(O)c1ccc(O)cc1.
What is the InChIKey of 1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one?
The InChIKey is LAVFIUXXALKUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O7/c30-21-9-1-17(2-10-21)25(27(34)19-5-13-23(32)14-6-19)29(36)26(18-3-11-22(31)12-4-18)28(35)20-7-15-24(33)16-8-20/h1-16,25-28,30-35H.
What are the key properties of 1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one?
1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one has a molecular weight of 486.52 g/mol, XLogP of 4.41, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroxy-1,2,4,5-tetrakis(4-hydroxyphenyl)pentan-3-one is sourced from PubChem (CID 174778705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).