3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid

C12H14O3 — CID 169453778

IUPAC3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(C=CCO)c1
InChIInChI=1S/C12H14O3/c13-8-2-5-10-3-1-4-11(9-10)6-7-12(14)15/h1-5,9,13H,6-8H2,(H,14,15)
InChIKeyMYWGQUFBQWQCAN-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.71
Rot. Bonds5

About 3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid

3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid (PubChem CID 169453778) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid
PubChem CID169453778
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(C=CCO)c1
InChIInChI=1S/C12H14O3/c13-8-2-5-10-3-1-4-11(9-10)6-7-12(14)15/h1-5,9,13H,6-8H2,(H,14,15)
InChIKeyMYWGQUFBQWQCAN-UHFFFAOYSA-N
XLogP1.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175573887
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butanoic acid;3-phenylprop-2-en-1-ol
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3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid
CID 175603484
(E)-7-(3-benzylphenyl)hept-6-enoic acid
CID 18987223
3-(3-oxobutyl)benzaldehyde
CID 11137650
N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide
CID 169465370
tert-butyl N-[[3-(3-hydroxyprop-1-enyl)phenyl]methyl]carbamate
CID 169454210
3-[4-(4-hydroxybut-1-enyl)phenyl]propanoic acid
CID 170477084
2-[3-(5-phenylpent-1-enyl)phenyl]ethanol
CID 54163257
lanthanum;3-phenylpropanoic acid
CID 174887955

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid?
The IUPAC name of 3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid (CID 169453778) is 3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid?
The canonical SMILES for 3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid is O=C(O)CCc1cccc(C=CCO)c1.
What is the InChIKey of 3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid?
The InChIKey is MYWGQUFBQWQCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-8-2-5-10-3-1-4-11(9-10)6-7-12(14)15/h1-5,9,13H,6-8H2,(H,14,15).
What are the key properties of 3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid?
3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid has a molecular weight of 206.24 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid is sourced from PubChem (CID 169453778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).