2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid

C11H12O4 — CID 175687235

IUPAC2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid
SMILESCOCc1ccc(C=C(O)C(=O)O)cc1
InChIInChI=1S/C11H12O4/c1-15-7-9-4-2-8(3-5-9)6-10(12)11(13)14/h2-6,12H,7H2,1H3,(H,13,14)
InChIKeyLKYXYLPLDYNJAC-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.82
Rot. Bonds4

About 2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid

2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid (PubChem CID 175687235) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid
PubChem CID175687235
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid
SMILESCOCc1ccc(C=C(O)C(=O)O)cc1
InChIInChI=1S/C11H12O4/c1-15-7-9-4-2-8(3-5-9)6-10(12)11(13)14/h2-6,12H,7H2,1H3,(H,13,14)
InChIKeyLKYXYLPLDYNJAC-UHFFFAOYSA-N
XLogP1.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.82
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)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene
CID 77098903
(Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol
CID 103091036
4-[[2-cyano-3-[4-(methoxymethyl)phenyl]prop-2-enoyl]amino]benzoic acid
CID 126806158
3-[4-(methoxymethyl)phenyl]prop-2-enal
CID 79330682
germane;2-hydroxy-3-phenylprop-2-enoic acid
CID 174439173
2-hydroxy-3-phenylprop-2-enoic acid;methane
CID 66953163
[4-(methoxymethyl)phenyl]methyl carbamate
CID 175563517
(E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine
CID 103093159
(E)-2-cyano-3-[4-[(4-methoxyphenyl)methoxy]phenyl]prop-2-enoic acid
CID 118394379
4-(methoxymethyl)-N-[4-(methoxymethyl)phenyl]-N-[4-[(E)-2-[4-(methoxymethyl)phenyl]-2-phenylethenyl]phenyl]aniline
CID 170098385
2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338904

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid?
The IUPAC name of 2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid (CID 175687235) is 2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for 2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid?
The canonical SMILES for 2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid is COCc1ccc(C=C(O)C(=O)O)cc1.
What is the InChIKey of 2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid?
The InChIKey is LKYXYLPLDYNJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-15-7-9-4-2-8(3-5-9)6-10(12)11(13)14/h2-6,12H,7H2,1H3,(H,13,14).
What are the key properties of 2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid?
2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid has a molecular weight of 208.21 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 175687235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).