ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate

C19H22O5 — CID 75164211

IUPACethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate
SMILESCCOC(=O)C(C)=Cc1c(OC)c(OC)c2ccccc2c1OC
InChIInChI=1S/C19H22O5/c1-6-24-19(20)12(2)11-15-16(21-3)13-9-7-8-10-14(13)17(22-4)18(15)23-5/h7-11H,6H2,1-5H3
InChIKeyAELBILWWTLSYAJ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.83
Rot. Bonds6

About ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate

ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate (PubChem CID 75164211) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate
PubChem CID75164211
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Nameethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate
SMILESCCOC(=O)C(C)=Cc1c(OC)c(OC)c2ccccc2c1OC
InChIInChI=1S/C19H22O5/c1-6-24-19(20)12(2)11-15-16(21-3)13-9-7-8-10-14(13)17(22-4)18(15)23-5/h7-11H,6H2,1-5H3
InChIKeyAELBILWWTLSYAJ-UHFFFAOYSA-N
XLogP3.83
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(3-bromo-1,4-dimethoxynaphthalen-2-yl)-2-methylprop-2-enoate
CID 75164236
ethyl (E)-3-(2-chloro-3,4,5,6-tetramethoxyphenyl)-2-methylprop-2-enoate
CID 46179966
ethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate
CID 104503814
ethyl (E)-2-methyl-3-naphthalen-1-ylprop-2-enoate
CID 88621267
(E)-3-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2-methylprop-2-enoic acid
CID 46180244
ethyl (Z)-3-(10-methoxyanthracen-9-yl)-2-nitroprop-2-enoate
CID 15880254
(4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate
CID 14302873
ethyl (E)-3-(3-methoxyphenyl)-2-methylprop-2-enoate
CID 104503715
ethyl (E)-2-methyl-3-(3-methylsulfonylphenyl)prop-2-enoate
CID 139784414
methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate
CID 134891901
(2Z)-2-[(1,4-dimethoxy-3-methylnaphthalen-2-yl)methylidene]butanoic acid
CID 70835115
ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate
CID 59134931

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate?
The IUPAC name of ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate (CID 75164211) is ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate?
The canonical SMILES for ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate is CCOC(=O)C(C)=Cc1c(OC)c(OC)c2ccccc2c1OC.
What is the InChIKey of ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate?
The InChIKey is AELBILWWTLSYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-6-24-19(20)12(2)11-15-16(21-3)13-9-7-8-10-14(13)17(22-4)18(15)23-5/h7-11H,6H2,1-5H3.
What are the key properties of ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate?
ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate has a molecular weight of 330.38 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate is sourced from PubChem (CID 75164211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).