1-prop-2-enoxyethyl 2-benzylprop-2-enoate

C15H18O3 — CID 170169026

IUPAC1-prop-2-enoxyethyl 2-benzylprop-2-enoate
SMILESC=CCOC(C)OC(=O)C(=C)Cc1ccccc1
InChIInChI=1S/C15H18O3/c1-4-10-17-13(3)18-15(16)12(2)11-14-8-6-5-7-9-14/h4-9,13H,1-2,10-11H2,3H3
InChIKeyPFJIHPCAOGJUAU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.88
Rot. Bonds7

About 1-prop-2-enoxyethyl 2-benzylprop-2-enoate

1-prop-2-enoxyethyl 2-benzylprop-2-enoate (PubChem CID 170169026) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-prop-2-enoxyethyl 2-benzylprop-2-enoate.

Molecular Properties

Compound Name1-prop-2-enoxyethyl 2-benzylprop-2-enoate
PubChem CID170169026
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name1-prop-2-enoxyethyl 2-benzylprop-2-enoate
SMILESC=CCOC(C)OC(=O)C(=C)Cc1ccccc1
InChIInChI=1S/C15H18O3/c1-4-10-17-13(3)18-15(16)12(2)11-14-8-6-5-7-9-14/h4-9,13H,1-2,10-11H2,3H3
InChIKeyPFJIHPCAOGJUAU-UHFFFAOYSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-prop-2-enoxyethyl 2-benzylprop-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 2-benzylprop-2-enoate
CID 575761
2-propan-2-yloxyprop-2-enylbenzene
CID 12057112
1-(dimethylamino)ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate;hydrochloride
CID 175001526
but-2-ene;methyl 2-benzylprop-2-enoate;2-methylprop-2-enoic acid
CID 174894850
1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
2-(2-benzylprop-2-enoyloxy)-2-hydroxypropanoic acid
CID 90238430
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904
methyl 2-benzylprop-2-enoate;methyl 3,3-dimethyl-2-methylidenebutanoate
CID 174801501
2-(chloromethyl)prop-2-enoic acid;methyl 2-benzylprop-2-enoate
CID 175543990
1,1'-biphenyl;1-ethoxyethyl prop-2-enoate
CID 174728082
(2-methyl-1-prop-2-enoxyprop-2-enyl)benzene
CID 15361416

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxyethyl 2-benzylprop-2-enoate?
The IUPAC name of 1-prop-2-enoxyethyl 2-benzylprop-2-enoate (CID 170169026) is 1-prop-2-enoxyethyl 2-benzylprop-2-enoate.
What is the SMILES notation for 1-prop-2-enoxyethyl 2-benzylprop-2-enoate?
The canonical SMILES for 1-prop-2-enoxyethyl 2-benzylprop-2-enoate is C=CCOC(C)OC(=O)C(=C)Cc1ccccc1.
What is the InChIKey of 1-prop-2-enoxyethyl 2-benzylprop-2-enoate?
The InChIKey is PFJIHPCAOGJUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-4-10-17-13(3)18-15(16)12(2)11-14-8-6-5-7-9-14/h4-9,13H,1-2,10-11H2,3H3.
What are the key properties of 1-prop-2-enoxyethyl 2-benzylprop-2-enoate?
1-prop-2-enoxyethyl 2-benzylprop-2-enoate has a molecular weight of 246.31 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxyethyl 2-benzylprop-2-enoate is sourced from PubChem (CID 170169026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).