2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid

C16H16O6 — CID 170825141

IUPAC2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid
SMILESO=C(O)C(O)C(O)c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C16H16O6/c17-13-8-11(22-9-10-4-2-1-3-5-10)6-7-12(13)14(18)15(19)16(20)21/h1-8,14-15,17-19H,9H2,(H,20,21)
InChIKeyQOOCHEKAZZSCJB-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.45
Rot. Bonds6

About 2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid

2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid (PubChem CID 170825141) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid
PubChem CID170825141
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid
SMILESO=C(O)C(O)C(O)c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C16H16O6/c17-13-8-11(22-9-10-4-2-1-3-5-10)6-7-12(13)14(18)15(19)16(20)21/h1-8,14-15,17-19H,9H2,(H,20,21)
InChIKeyQOOCHEKAZZSCJB-UHFFFAOYSA-N
XLogP1.45
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819017
2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanenitrile
CID 171871416
2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride
CID 171234127
2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214454
2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol
CID 171214502
2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214501
2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214474
2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol
CID 171214455
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate
CID 170835359
1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol
CID 83988743
(1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol
CID 129361760

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid (CID 170825141) is 2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid is O=C(O)C(O)C(O)c1ccc(OCc2ccccc2)cc1O.
What is the InChIKey of 2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid?
The InChIKey is QOOCHEKAZZSCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c17-13-8-11(22-9-10-4-2-1-3-5-10)6-7-12(13)14(18)15(19)16(20)21/h1-8,14-15,17-19H,9H2,(H,20,21).
What are the key properties of 2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid?
2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid has a molecular weight of 304.30 g/mol, XLogP of 1.45, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 170825141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).