ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate

C13H16O4 — CID 11447702

IUPACethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)C(O)c1ccc(OC)cc1
InChIInChI=1S/C13H16O4/c1-4-17-13(15)9(2)12(14)10-5-7-11(16-3)8-6-10/h5-8,12,14H,2,4H2,1,3H3
InChIKeyVBCUVIGNAIZFKO-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.85
Rot. Bonds5

About ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate

ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate (PubChem CID 11447702) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate
PubChem CID11447702
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Nameethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)C(O)c1ccc(OC)cc1
InChIInChI=1S/C13H16O4/c1-4-17-13(15)9(2)12(14)10-5-7-11(16-3)8-6-10/h5-8,12,14H,2,4H2,1,3H3
InChIKeyVBCUVIGNAIZFKO-UHFFFAOYSA-N
XLogP1.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[hydroxy-(4-methylsulfanylphenyl)methyl]prop-2-enoate
CID 43186439
ethyl 2-[hydroxy-[4-(trifluoromethylsulfanyl)phenyl]methyl]prop-2-enoate
CID 43102372
ethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate
CID 101472446
ethyl 2-[(3,5-dichlorophenyl)-hydroxymethyl]prop-2-enoate
CID 118722954
ethyl 2-[hydroxy-(5-methylfuran-2-yl)methyl]prop-2-enoate
CID 43186479
propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate
CID 129353793
ethyl 2-[hydroxy-(2,4,5-trimethylphenyl)methyl]prop-2-enoate
CID 43186393
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
ethyl (1R)-1-[(1R)-2-ethoxycarbonyl-1-(4-methoxyphenyl)prop-2-enyl]-2-oxocyclopentane-1-carboxylate
CID 134963299
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate (CID 11447702) is ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate is C=C(C(=O)OCC)C(O)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate?
The InChIKey is VBCUVIGNAIZFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-4-17-13(15)9(2)12(14)10-5-7-11(16-3)8-6-10/h5-8,12,14H,2,4H2,1,3H3.
What are the key properties of ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate?
ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate has a molecular weight of 236.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate is sourced from PubChem (CID 11447702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).