ethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate

C18H24O6 — CID 101472446

IUPACethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)C(OC(=O)OC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C18H24O6/c1-7-22-16(19)12(2)15(23-17(20)24-18(3,4)5)13-8-10-14(21-6)11-9-13/h8-11,15H,2,7H2,1,3-6H3
InChIKeyMABDDQYCMCRYMB-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.81
Rot. Bonds6

About ethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate

ethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate (PubChem CID 101472446) has the molecular formula C18H24O6 and a molecular weight of 336.38 g/mol. Its IUPAC name is ethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate
PubChem CID101472446
Molecular FormulaC18H24O6
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Nameethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)C(OC(=O)OC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C18H24O6/c1-7-22-16(19)12(2)15(23-17(20)24-18(3,4)5)13-8-10-14(21-6)11-9-13/h8-11,15H,2,7H2,1,3-6H3
InChIKeyMABDDQYCMCRYMB-UHFFFAOYSA-N
XLogP3.81
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]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 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate
CID 11447702
methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate
CID 11323789
ethyl 2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-naphthalen-2-ylmethyl]prop-2-enoate
CID 56929944
tert-butyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840712
tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840713
ethyl 2-[acetyloxy-(3-chloro-4-methoxyphenyl)methyl]prop-2-enoate
CID 131974450
tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate
CID 11380047
ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
CID 21354872
2-(4-methoxyphenyl)-2-propoxyacetic acid
CID 83223962
tert-butyl 5-(2-ethoxycarbonylpent-1-en-3-yl)pyridine-2-carboxylate
CID 57219680
ethyl (Z)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 101204979
ethyl 2-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]prop-2-enoate
CID 134940526

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate (CID 101472446) is ethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate is C=C(C(=O)OCC)C(OC(=O)OC(C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate?
The InChIKey is MABDDQYCMCRYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O6/c1-7-22-16(19)12(2)15(23-17(20)24-18(3,4)5)13-8-10-14(21-6)11-9-13/h8-11,15H,2,7H2,1,3-6H3.
What are the key properties of ethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate?
ethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate has a molecular weight of 336.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate is sourced from PubChem (CID 101472446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).