2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid

C15H20O8 — CID 57052843

IUPAC2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)C(=Cc1ccc(OCC(O)CO)cc1)OCC(O)CO
InChIInChI=1S/C15H20O8/c16-6-11(18)8-22-13-3-1-10(2-4-13)5-14(15(20)21)23-9-12(19)7-17/h1-5,11-12,16-19H,6-9H2,(H,20,21)
InChIKeyDUIOJFGDGHYFFU-UHFFFAOYSA-N
MW328.32 g/mol
LogP-0.79
Rot. Bonds10

About 2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid

2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid (PubChem CID 57052843) has the molecular formula C15H20O8 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid
PubChem CID57052843
Molecular FormulaC15H20O8
Molecular Weight328.32 g/mol
Exact Mass328.12
IUPAC Name2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)C(=Cc1ccc(OCC(O)CO)cc1)OCC(O)CO
InChIInChI=1S/C15H20O8/c16-6-11(18)8-22-13-3-1-10(2-4-13)5-14(15(20)21)23-9-12(19)7-17/h1-5,11-12,16-19H,6-9H2,(H,20,21)
InChIKeyDUIOJFGDGHYFFU-UHFFFAOYSA-N
XLogP-0.79
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide
CID 572441
bis(2,3-dihydroxypropyl) 2-[(4-dodecoxyphenyl)methylidene]propanedioate
CID 59768697
actinium;3-phenoxypropane-1,2-diol
CID 22981458
3-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenoxy]propane-1,2-diol
CID 59739338
2-hexoxy-3-(4-hexoxyphenyl)prop-2-enoic acid
CID 139651291
(Z)-3-[4-[3-[5-[3-[4-[(Z)-2-carboxy-2-cyanoethenyl]phenoxy]-2-hydroxypropyl]-3-[3-[4-[(E)-2-carboxy-2-cyanoethenyl]phenoxy]-2-hydroxypropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropoxy]phenyl]-2-cyanoprop-2-enoic acid
CID 174348103
(Z)-2-ethoxy-3-[4-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethoxy]phenyl]prop-2-enoic acid
CID 71182860
(Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid
CID 71182854
3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol
CID 139630943
3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol
CID 23132622

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid?
The IUPAC name of 2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid (CID 57052843) is 2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for 2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for 2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid is O=C(O)C(=Cc1ccc(OCC(O)CO)cc1)OCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid?
The InChIKey is DUIOJFGDGHYFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O8/c16-6-11(18)8-22-13-3-1-10(2-4-13)5-14(15(20)21)23-9-12(19)7-17/h1-5,11-12,16-19H,6-9H2,(H,20,21).
What are the key properties of 2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid?
2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid has a molecular weight of 328.32 g/mol, XLogP of -0.79, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 57052843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).