4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid

C12H14O4 — CID 171877228

IUPAC4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid
SMILESC=Cc1ccccc1C(O)C(O)CC(=O)O
InChIInChI=1S/C12H14O4/c1-2-8-5-3-4-6-9(8)12(16)10(13)7-11(14)15/h2-6,10,12-13,16H,1,7H2,(H,14,15)
InChIKeyCROLYSSRCAECJR-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.20
Rot. Bonds5

About 4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid

4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid (PubChem CID 171877228) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid
PubChem CID171877228
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid
SMILESC=Cc1ccccc1C(O)C(O)CC(=O)O
InChIInChI=1S/C12H14O4/c1-2-8-5-3-4-6-9(8)12(16)10(13)7-11(14)15/h2-6,10,12-13,16H,1,7H2,(H,14,15)
InChIKeyCROLYSSRCAECJR-UHFFFAOYSA-N
XLogP1.20
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethenylphenyl)propane-1,2,3-triol
CID 170817426
4-(2-benzoylphenyl)-3,4-dihydroxybutanoic acid
CID 171878688
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid
CID 171877230
1-(2-ethenylphenyl)-4-(methylamino)butane-1,2-diol
CID 171889770
2-amino-2-(2-ethenylphenyl)acetic acid
CID 55283582
4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171877250
3,4-dihydroxy-4-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 171878259
4-(2-formyl-4-methylphenyl)-3,4-dihydroxybutanoic acid
CID 171877603
3,4-dihydroxy-4-[2-(hydroxyiminomethyl)phenyl]butanamide
CID 171899286
3,4-dihydroxy-4-[2-(1H-pyrazol-5-yl)phenyl]butanoic acid
CID 171878434
3,4-dihydroxy-4-(5-phenyl-1H-pyrazol-4-yl)butanoic acid
CID 171878430
4-(2-chloro-3-methylphenyl)-3,4-dihydroxybutanoic acid
CID 171877208

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid (CID 171877228) is 4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid is C=Cc1ccccc1C(O)C(O)CC(=O)O.
What is the InChIKey of 4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid?
The InChIKey is CROLYSSRCAECJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-2-8-5-3-4-6-9(8)12(16)10(13)7-11(14)15/h2-6,10,12-13,16H,1,7H2,(H,14,15).
What are the key properties of 4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid?
4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171877228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).