2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid

C18H20O6 — CID 57175393

IUPAC2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid
SMILESO=C(O)C(O)(Cc1ccc(O)cc1)CC(O)Cc1ccc(O)cc1
InChIInChI=1S/C18H20O6/c19-14-5-1-12(2-6-14)9-16(21)11-18(24,17(22)23)10-13-3-7-15(20)8-4-13/h1-8,16,19-21,24H,9-11H2,(H,22,23)
InChIKeyFFBPEPVBIARIRR-UHFFFAOYSA-N
MW332.35 g/mol
LogP1.45
Rot. Bonds7

About 2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid

2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid (PubChem CID 57175393) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid.

Molecular Properties

Compound Name2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid
PubChem CID57175393
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid
SMILESO=C(O)C(O)(Cc1ccc(O)cc1)CC(O)Cc1ccc(O)cc1
InChIInChI=1S/C18H20O6/c19-14-5-1-12(2-6-14)9-16(21)11-18(24,17(22)23)10-13-3-7-15(20)8-4-13/h1-8,16,19-21,24H,9-11H2,(H,22,23)
InChIKeyFFBPEPVBIARIRR-UHFFFAOYSA-N
XLogP1.45
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dihydroxy-2-[(4-hydroxyphenyl)methyl]pentanedioic acid
CID 150346240
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
L-Tyrosine (disodium)
CID 66602062
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
(2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid
CID 90178447
4-(hydroxymethyl)phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175404414
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-2-methylpropanoic acid
CID 76950010

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid?
The IUPAC name of 2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid (CID 57175393) is 2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid.
What is the SMILES notation for 2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid?
The canonical SMILES for 2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid is O=C(O)C(O)(Cc1ccc(O)cc1)CC(O)Cc1ccc(O)cc1.
What is the InChIKey of 2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid?
The InChIKey is FFBPEPVBIARIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c19-14-5-1-12(2-6-14)9-16(21)11-18(24,17(22)23)10-13-3-7-15(20)8-4-13/h1-8,16,19-21,24H,9-11H2,(H,22,23).
What are the key properties of 2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid?
2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid has a molecular weight of 332.35 g/mol, XLogP of 1.45, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-5-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]pentanoic acid is sourced from PubChem (CID 57175393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).