(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid

C10H10O4 — CID 11019723

IUPAC(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C(/O)C(=O)O)cc1
InChIInChI=1S/C10H10O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-6,11H,1H3,(H,12,13)/b9-6+
InChIKeyVVKZBPVFTSRVGZ-RMKNXTFCSA-N
MW194.19 g/mol
LogP1.68
Rot. Bonds3

About (E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid

(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid (PubChem CID 11019723) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
PubChem CID11019723
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C(/O)C(=O)O)cc1
InChIInChI=1S/C10H10O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-6,11H,1H3,(H,12,13)/b9-6+
InChIKeyVVKZBPVFTSRVGZ-RMKNXTFCSA-N
XLogP1.68
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(E)-4-(4-methoxyphenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435525
2-methoxycarbonyl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 3653010
2-carbonoperoxoyl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 173209680
2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid
CID 175687235
4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 4586282
(E)-4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 6157099
(2E,3E)-2,3-bis[(4-methoxyphenyl)methylidene]butanedial
CID 12694230
(Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
CID 10727141
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
(Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 6390190
2-[(4-methoxyphenyl)methylidene]octanoic acid
CID 67426612
3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid
CID 175687198

Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid (CID 11019723) is (E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid is COc1ccc(/C=C(/O)C(=O)O)cc1.
What is the InChIKey of (E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is VVKZBPVFTSRVGZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H10O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-6,11H,1H3,(H,12,13)/b9-6+.
What are the key properties of (E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid?
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid has a molecular weight of 194.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 11019723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).