2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid

C11H12O4 — CID 22346232

IUPAC2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid
SMILESC=CCOc1cccc(C(O)C(=O)O)c1
InChIInChI=1S/C11H12O4/c1-2-6-15-9-5-3-4-8(7-9)10(12)11(13)14/h2-5,7,10,12H,1,6H2,(H,13,14)
InChIKeyXNKKXSCNNSSUMW-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.37
Rot. Bonds5

About 2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid

2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid (PubChem CID 22346232) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid
PubChem CID22346232
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid
SMILESC=CCOc1cccc(C(O)C(=O)O)c1
InChIInChI=1S/C11H12O4/c1-2-6-15-9-5-3-4-8(7-9)10(12)11(13)14/h2-5,7,10,12H,1,6H2,(H,13,14)
InChIKeyXNKKXSCNNSSUMW-UHFFFAOYSA-N
XLogP1.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-prop-2-enoxyphenyl)propanoic acid
CID 156638364
2-amino-2-(3-prop-2-enoxyphenyl)acetic acid
CID 22278592
(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332
bis(3-prop-2-enoxyphenyl) carbonate
CID 175530983
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-amine
CID 123363290
2-[(5-amino-1H-pyrazole-4-carbonyl)amino]-2-(3-prop-2-enoxyphenyl)acetic acid
CID 22278584
3-(3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 74580611
prop-2-enoic acid;prop-2-enoxybenzene
CID 174376278
(2R)-2-(3-methoxyphenyl)pent-4-enoic acid
CID 124706268
1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol
CID 115804584
(3-prop-2-enoxyphenyl)azanium
CID 59822882

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid (CID 22346232) is 2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid is C=CCOc1cccc(C(O)C(=O)O)c1.
What is the InChIKey of 2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid?
The InChIKey is XNKKXSCNNSSUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-2-6-15-9-5-3-4-8(7-9)10(12)11(13)14/h2-5,7,10,12H,1,6H2,(H,13,14).
What are the key properties of 2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid?
2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid has a molecular weight of 208.21 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid is sourced from PubChem (CID 22346232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).