3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid

C15H18O5 — CID 10956821

IUPAC3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid
SMILESC=CCOc1ccc(CC(O)C(=O)O)cc1OCC=C
InChIInChI=1S/C15H18O5/c1-3-7-19-13-6-5-11(9-12(16)15(17)18)10-14(13)20-8-4-2/h3-6,10,12,16H,1-2,7-9H2,(H,17,18)
InChIKeyGEHJEGRJNQSTHX-UHFFFAOYSA-N
MW278.30 g/mol
LogP1.80
Rot. Bonds9

About 3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid

3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid (PubChem CID 10956821) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid
PubChem CID10956821
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid
SMILESC=CCOc1ccc(CC(O)C(=O)O)cc1OCC=C
InChIInChI=1S/C15H18O5/c1-3-7-19-13-6-5-11(9-12(16)15(17)18)10-14(13)20-8-4-2/h3-6,10,12,16H,1-2,7-9H2,(H,17,18)
InChIKeyGEHJEGRJNQSTHX-UHFFFAOYSA-N
XLogP1.80
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 2-hydroxy-3-(4-methoxy-3-prop-2-enoxyphenyl)propanoate
CID 149406370
(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
CID 14163336
4-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]butanoic acid
CID 102536561
prop-2-enyl (2S)-3-[3,4-bis(prop-2-enoxy)phenyl]-2-[(E)-3-[3,4-bis(prop-2-enoxy)phenyl]prop-2-enoyl]oxypropanoate
CID 10973744
benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate
CID 23238101
2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid
CID 67378095
1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine
CID 60906895
4-(hydroxymethyl)-2-prop-2-enoxybenzoic acid
CID 58818400
(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283
2-hydroxy-4-(2-methoxy-4-prop-2-enylphenoxy)-4-oxobutanoic acid
CID 67325524
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(2S)-2-hydroxypropyl]azanium
CID 7991499
(2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol
CID 7991496

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid?
The IUPAC name of 3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid (CID 10956821) is 3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid is C=CCOc1ccc(CC(O)C(=O)O)cc1OCC=C.
What is the InChIKey of 3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid?
The InChIKey is GEHJEGRJNQSTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-3-7-19-13-6-5-11(9-12(16)15(17)18)10-14(13)20-8-4-2/h3-6,10,12,16H,1-2,7-9H2,(H,17,18).
What are the key properties of 3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid?
3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid has a molecular weight of 278.30 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid is sourced from PubChem (CID 10956821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).