(4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate

C16H18O5 — CID 11055378

IUPAC(4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate
SMILESCOc1ccc(COC(=O)/C(C)=C/[C@H]2CCC(=O)O2)cc1
InChIInChI=1S/C16H18O5/c1-11(9-14-7-8-15(17)21-14)16(18)20-10-12-3-5-13(19-2)6-4-12/h3-6,9,14H,7-8,10H2,1-2H3/b11-9+/t14-/m1/s1
InChIKeyIJGHKFJTSFUFQZ-CFRMROPGSA-N
MW290.31 g/mol
LogP2.39
Rot. Bonds5

About (4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate

(4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate (PubChem CID 11055378) has the molecular formula C16H18O5 and a molecular weight of 290.31 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate
PubChem CID11055378
Molecular FormulaC16H18O5
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name(4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate
SMILESCOc1ccc(COC(=O)/C(C)=C/[C@H]2CCC(=O)O2)cc1
InChIInChI=1S/C16H18O5/c1-11(9-14-7-8-15(17)21-14)16(18)20-10-12-3-5-13(19-2)6-4-12/h3-6,9,14H,7-8,10H2,1-2H3/b11-9+/t14-/m1/s1
InChIKeyIJGHKFJTSFUFQZ-CFRMROPGSA-N
XLogP2.39
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-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

methyl (E)-2-methyl-3-(5-oxooxolan-2-yl)prop-2-enoate
CID 57482875
4-[(4-methoxyphenyl)methoxy]-3-methyl-4-oxobut-2-enoic acid
CID 71347952
4-[(4-methoxyphenyl)methoxy]-3-methyl-4-oxobut-2-enoate
CID 71347951
(5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one
CID 129394807
1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene
CID 145479406
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl 3-cyclopropylpropanoate
CID 56995818
(4-methoxyphenyl)methyl 2-oxooxolane-3-carboxylate
CID 141135197
(5S)-5-(4-methoxyphenyl)oxolan-2-one
CID 12862881
(4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate
CID 90285225
(4-methoxyphenyl)methyl (2S)-4-oxoazetidine-2-carboxylate
CID 70319681
(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate
CID 62695261

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate?
The IUPAC name of (4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate (CID 11055378) is (4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate.
What is the SMILES notation for (4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate?
The canonical SMILES for (4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate is COc1ccc(COC(=O)/C(C)=C/[C@H]2CCC(=O)O2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate?
The InChIKey is IJGHKFJTSFUFQZ-CFRMROPGSA-N. The full InChI is InChI=1S/C16H18O5/c1-11(9-14-7-8-15(17)21-14)16(18)20-10-12-3-5-13(19-2)6-4-12/h3-6,9,14H,7-8,10H2,1-2H3/b11-9+/t14-/m1/s1.
What are the key properties of (4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate?
(4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate has a molecular weight of 290.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate is sourced from PubChem (CID 11055378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).