methyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate

C15H18O6 — CID 102337545

IUPACmethyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(OC(C)=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H18O6/c1-9(15(17)20-5)14(21-10(2)16)11-6-7-12(18-3)13(8-11)19-4/h6-8,14H,1H2,2-5H3
InChIKeyLOFXEGNOSJGUEZ-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.04
Rot. Bonds6

About methyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate

methyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate (PubChem CID 102337545) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is methyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate
PubChem CID102337545
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Namemethyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(OC(C)=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H18O6/c1-9(15(17)20-5)14(21-10(2)16)11-6-7-12(18-3)13(8-11)19-4/h6-8,14H,1H2,2-5H3
InChIKeyLOFXEGNOSJGUEZ-UHFFFAOYSA-N
XLogP2.04
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[acetyloxy-[3-chloro-4-(difluoromethoxy)phenyl]methyl]prop-2-enoate
CID 129247958
methyl 2-[(S)-acetyloxy(phenyl)methyl]prop-2-enoate
CID 51550449
ethyl 2-[acetyloxy-(3-chloro-4-methoxyphenyl)methyl]prop-2-enoate
CID 131974450
methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate
CID 11207139
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate
CID 174288850
methyl 2-[(3,4-dimethoxyphenyl)-(phenylmethoxycarbonylamino)methyl]prop-2-enoate
CID 102577181
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
[(4-acetyl-3-methoxyphenyl)-acetyloxymethyl] acetate
CID 12982472
ethyl 2-[acetyloxy-(3-methylphenyl)methyl]prop-2-enoate
CID 102172343
N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide
CID 14816122
methyl 2-(3,4-dimethoxyphenyl)but-3-enoate
CID 143227806

Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate (CID 102337545) is methyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate is C=C(C(=O)OC)C(OC(C)=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate?
The InChIKey is LOFXEGNOSJGUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O6/c1-9(15(17)20-5)14(21-10(2)16)11-6-7-12(18-3)13(8-11)19-4/h6-8,14H,1H2,2-5H3.
What are the key properties of methyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate?
methyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate has a molecular weight of 294.30 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyloxy-(3,4-dimethoxyphenyl)methyl]prop-2-enoate is sourced from PubChem (CID 102337545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).