decyl 2-methoxy-3-phenylprop-2-enoate

C20H30O3 — CID 164571010

IUPACdecyl 2-methoxy-3-phenylprop-2-enoate
SMILESCCCCCCCCCCOC(=O)C(=Cc1ccccc1)OC
InChIInChI=1S/C20H30O3/c1-3-4-5-6-7-8-9-13-16-23-20(21)19(22-2)17-18-14-11-10-12-15-18/h10-12,14-15,17H,3-9,13,16H2,1-2H3
InChIKeyHUEVWXASOQITTJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.36
Rot. Bonds12

About decyl 2-methoxy-3-phenylprop-2-enoate

decyl 2-methoxy-3-phenylprop-2-enoate (PubChem CID 164571010) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is decyl 2-methoxy-3-phenylprop-2-enoate.

Molecular Properties

Compound Namedecyl 2-methoxy-3-phenylprop-2-enoate
PubChem CID164571010
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Namedecyl 2-methoxy-3-phenylprop-2-enoate
SMILESCCCCCCCCCCOC(=O)C(=Cc1ccccc1)OC
InChIInChI=1S/C20H30O3/c1-3-4-5-6-7-8-9-13-16-23-20(21)19(22-2)17-18-14-11-10-12-15-18/h10-12,14-15,17H,3-9,13,16H2,1-2H3
InChIKeyHUEVWXASOQITTJ-UHFFFAOYSA-N
XLogP5.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze decyl 2-methoxy-3-phenylprop-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

zinc;octyl 2-methoxy-3-phenylprop-2-enoate;oxygen(2-)
CID 158496796
2-methoxy-3-phenylprop-2-enoic acid;octyl 2-methoxy-3-phenylprop-2-enoate
CID 162017685
2-methoxyethyl 2-methoxy-3-phenylprop-2-enoate
CID 150649669
hexyl 2-methyl-3-phenylprop-2-enoate
CID 174586254
pentyl 2-hydroxy-3-phenylprop-2-enoate
CID 139668061
ethyl (E)-2-butoxy-3-phenylprop-2-enoate
CID 70582415
3-pentoxy-1,4-diphenylbuta-1,3-dien-2-ol
CID 87853239
methyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate
CID 140781645
2-methoxy-N-octyl-3-phenylprop-2-enamide
CID 69178102
potassium;hexadecyl dihydrogen phosphate;2-methoxy-3-phenylprop-2-enoate
CID 67283735
ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate
CID 141374612
4-amino-3,5-dimethyl-2-octylbenzoic acid;octyl 2-hydroxybenzoate;octyl 2-methoxy-3-phenylprop-2-enoate
CID 174417760

Frequently Asked Questions

What is the IUPAC name of decyl 2-methoxy-3-phenylprop-2-enoate?
The IUPAC name of decyl 2-methoxy-3-phenylprop-2-enoate (CID 164571010) is decyl 2-methoxy-3-phenylprop-2-enoate.
What is the SMILES notation for decyl 2-methoxy-3-phenylprop-2-enoate?
The canonical SMILES for decyl 2-methoxy-3-phenylprop-2-enoate is CCCCCCCCCCOC(=O)C(=Cc1ccccc1)OC.
What is the InChIKey of decyl 2-methoxy-3-phenylprop-2-enoate?
The InChIKey is HUEVWXASOQITTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3/c1-3-4-5-6-7-8-9-13-16-23-20(21)19(22-2)17-18-14-11-10-12-15-18/h10-12,14-15,17H,3-9,13,16H2,1-2H3.
What are the key properties of decyl 2-methoxy-3-phenylprop-2-enoate?
decyl 2-methoxy-3-phenylprop-2-enoate has a molecular weight of 318.46 g/mol, XLogP of 5.36, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-methoxy-3-phenylprop-2-enoate is sourced from PubChem (CID 164571010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).