[1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate

C16H20O2 — CID 89476158

IUPAC[1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C16H20O2/c1-11(2)15(17)18-16(4,14-9-10-14)13-7-5-12(3)6-8-13/h5-8,14H,1,9-10H2,2-4H3
InChIKeyFAXILQFEBQNBFO-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.74
Rot. Bonds4

About [1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate

[1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate (PubChem CID 89476158) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is [1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
PubChem CID89476158
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name[1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C16H20O2/c1-11(2)15(17)18-16(4,14-9-10-14)13-7-5-12(3)6-8-13/h5-8,14H,1,9-10H2,2-4H3
InChIKeyFAXILQFEBQNBFO-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-cyclohexyl-1-(4-prop-2-enylphenyl)ethyl] 2-methylprop-2-enoate
CID 163741956
[2,4-dimethyl-3-(4-methylphenyl)pentan-3-yl] 2-methylprop-2-enoate
CID 89476156
2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate
CID 89474757
2-cyclopentylpropan-2-yl 2-methylprop-2-enoate
CID 59130085
2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate
CID 118193786
2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
CID 139975270
1,1-dicyclohexylethyl 2-methylprop-2-enoate
CID 22090694
[(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate
CID 101089471
2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene
CID 67852922
2-(4-methylanilino)ethyl 2-methylprop-2-enoate
CID 59166790
ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
CID 68952925
[3-(4-tert-butylphenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate;[2-hydroxy-3-(4-methylphenoxy)propyl] 2-methylprop-2-enoate
CID 157088737

Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate?
The IUPAC name of [1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate (CID 89476158) is [1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(c1ccc(C)cc1)C1CC1.
What is the InChIKey of [1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate?
The InChIKey is FAXILQFEBQNBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-11(2)15(17)18-16(4,14-9-10-14)13-7-5-12(3)6-8-13/h5-8,14H,1,9-10H2,2-4H3.
What are the key properties of [1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate?
[1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate has a molecular weight of 244.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 89476158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).