methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate

C18H18O7 — CID 8665205

IUPACmethyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)/C=C/c2cc(OC)cc(OC)c2)o1
InChIInChI=1S/C18H18O7/c1-21-14-8-12(9-15(10-14)22-2)4-7-17(19)24-11-13-5-6-16(25-13)18(20)23-3/h4-10H,11H2,1-3H3/b7-4+
InChIKeyXMMCMAFXARNHFY-QPJJXVBHSA-N
MW346.34 g/mol
LogP2.84
Rot. Bonds7

About methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate

methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate (PubChem CID 8665205) has the molecular formula C18H18O7 and a molecular weight of 346.34 g/mol. Its IUPAC name is methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
PubChem CID8665205
Molecular FormulaC18H18O7
Molecular Weight346.34 g/mol
Exact Mass346.11
IUPAC Namemethyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)/C=C/c2cc(OC)cc(OC)c2)o1
InChIInChI=1S/C18H18O7/c1-21-14-8-12(9-15(10-14)22-2)4-7-17(19)24-11-13-5-6-16(25-13)18(20)23-3/h4-10H,11H2,1-3H3/b7-4+
InChIKeyXMMCMAFXARNHFY-QPJJXVBHSA-N
XLogP2.84
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate 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 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2516450
methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7654003
methyl 5-[[(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 8675246
methyl 5-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7726518
methyl 5-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 8661183
methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 2506390
methyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 2511826
methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate
CID 170877453
methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2110550
(2-fluorophenyl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8664716
methyl 5-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7734854
(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665539

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate (CID 8665205) is methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)/C=C/c2cc(OC)cc(OC)c2)o1.
What is the InChIKey of methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate?
The InChIKey is XMMCMAFXARNHFY-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H18O7/c1-21-14-8-12(9-15(10-14)22-2)4-7-17(19)24-11-13-5-6-16(25-13)18(20)23-3/h4-10H,11H2,1-3H3/b7-4+.
What are the key properties of methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate?
methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate has a molecular weight of 346.34 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 8665205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).