[3-methyl-5-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-ethenylbenzoate

C24H26O4 — CID 155119938

IUPAC[3-methyl-5-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)Oc2cc(C)cc(OC(=O)C3CCC(C)CC3)c2)cc1
InChIInChI=1S/C24H26O4/c1-4-18-7-11-20(12-8-18)24(26)28-22-14-17(3)13-21(15-22)27-23(25)19-9-5-16(2)6-10-19/h4,7-8,11-16,19H,1,5-6,9-10H2,2-3H3
InChIKeyONGYLTBJTFNFAN-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.59
Rot. Bonds5

About [3-methyl-5-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-ethenylbenzoate

[3-methyl-5-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-ethenylbenzoate (PubChem CID 155119938) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is [3-methyl-5-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-ethenylbenzoate.

Molecular Properties

Compound Name[3-methyl-5-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-ethenylbenzoate
PubChem CID155119938
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Name[3-methyl-5-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)Oc2cc(C)cc(OC(=O)C3CCC(C)CC3)c2)cc1
InChIInChI=1S/C24H26O4/c1-4-18-7-11-20(12-8-18)24(26)28-22-14-17(3)13-21(15-22)27-23(25)19-9-5-16(2)6-10-19/h4,7-8,11-16,19H,1,5-6,9-10H2,2-3H3
InChIKeyONGYLTBJTFNFAN-UHFFFAOYSA-N
XLogP5.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-ethenylbenzoate?
The IUPAC name of [3-methyl-5-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-ethenylbenzoate (CID 155119938) is [3-methyl-5-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-ethenylbenzoate.
What is the SMILES notation for [3-methyl-5-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-ethenylbenzoate?
The canonical SMILES for [3-methyl-5-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-ethenylbenzoate is C=Cc1ccc(C(=O)Oc2cc(C)cc(OC(=O)C3CCC(C)CC3)c2)cc1.
What is the InChIKey of [3-methyl-5-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-ethenylbenzoate?
The InChIKey is ONGYLTBJTFNFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O4/c1-4-18-7-11-20(12-8-18)24(26)28-22-14-17(3)13-21(15-22)27-23(25)19-9-5-16(2)6-10-19/h4,7-8,11-16,19H,1,5-6,9-10H2,2-3H3.
What are the key properties of [3-methyl-5-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-ethenylbenzoate?
[3-methyl-5-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-ethenylbenzoate has a molecular weight of 378.47 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-ethenylbenzoate is sourced from PubChem (CID 155119938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).