[4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-2-enoate

C20H26O3 — CID 150745551

IUPAC[4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(c2ccc(C)cc2OC=CC)CC1
InChIInChI=1S/C20H26O3/c1-5-12-22-19-13-15(4)6-11-18(19)16-7-9-17(10-8-16)23-20(21)14(2)3/h5-6,11-13,16-17H,2,7-10H2,1,3-4H3
InChIKeyJUTOPDSFMXEIOK-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.05
Rot. Bonds5

About [4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-2-enoate

[4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-2-enoate (PubChem CID 150745551) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is [4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-2-enoate
PubChem CID150745551
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name[4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(c2ccc(C)cc2OC=CC)CC1
InChIInChI=1S/C20H26O3/c1-5-12-22-19-13-15(4)6-11-18(19)16-7-9-17(10-8-16)23-20(21)14(2)3/h5-6,11-13,16-17H,2,7-10H2,1,3-4H3
InChIKeyJUTOPDSFMXEIOK-UHFFFAOYSA-N
XLogP5.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-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

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-2-enoate (CID 150745551) is [4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC(c2ccc(C)cc2OC=CC)CC1.
What is the InChIKey of [4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is JUTOPDSFMXEIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-5-12-22-19-13-15(4)6-11-18(19)16-7-9-17(10-8-16)23-20(21)14(2)3/h5-6,11-13,16-17H,2,7-10H2,1,3-4H3.
What are the key properties of [4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-2-enoate?
[4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 314.43 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-2-prop-1-enoxyphenyl)cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 150745551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).