2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)prop-2-enoate

C15H18O5 — CID 174896594

IUPAC2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)prop-2-enoate
SMILESCOc1cc(C=CC(=O)OCC(C)C)ccc1OC=O
InChIInChI=1S/C15H18O5/c1-11(2)9-19-15(17)7-5-12-4-6-13(20-10-16)14(8-12)18-3/h4-8,10-11H,9H2,1-3H3
InChIKeyVNXGTCCPQPQVGN-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.44
Rot. Bonds7

About 2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)prop-2-enoate

2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)prop-2-enoate (PubChem CID 174896594) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)prop-2-enoate
PubChem CID174896594
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)prop-2-enoate
SMILESCOc1cc(C=CC(=O)OCC(C)C)ccc1OC=O
InChIInChI=1S/C15H18O5/c1-11(2)9-19-15(17)7-5-12-4-6-13(20-10-16)14(8-12)18-3/h4-8,10-11H,9H2,1-3H3
InChIKeyVNXGTCCPQPQVGN-UHFFFAOYSA-N
XLogP2.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)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

(2-amino-2-oxoethyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 6163287
2-methylpropyl (E)-3-[3-amino-4-[(E)-3-(2-methylpropoxy)-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 135207774
(2-cyanophenyl)methyl (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate
CID 8887629
2-acetyloxy-4-[3-[3-[3-(3,4-dimethoxyphenyl)prop-2-enoyloxy]-2-hydroxypropoxy]-3-oxoprop-1-enyl]benzoic acid
CID 78155088
[2-(4-fluorophenyl)-2-oxoethyl] (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate
CID 7790742
[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7668569
5-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3-oxopent-4-enal
CID 91312479
(5-fluoro-2-methoxyphenyl)methyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 7726363
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-propan-2-ylprop-2-enamide
CID 73422617
(3-acetyloxy-2-hydroxypropyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 164575623
[2-methoxy-4-[(E)-3-(2-methylbutoxy)-3-oxoprop-1-enyl]phenyl] 3,4,5-trihydroxybenzoate
CID 101215077
2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate
CID 73430570

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)prop-2-enoate?
The IUPAC name of 2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)prop-2-enoate (CID 174896594) is 2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for 2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for 2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)prop-2-enoate is COc1cc(C=CC(=O)OCC(C)C)ccc1OC=O.
What is the InChIKey of 2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)prop-2-enoate?
The InChIKey is VNXGTCCPQPQVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-11(2)9-19-15(17)7-5-12-4-6-13(20-10-16)14(8-12)18-3/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)prop-2-enoate?
2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)prop-2-enoate has a molecular weight of 278.30 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-(4-formyloxy-3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 174896594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).