[4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate

C19H26O2 — CID 67635829

IUPAC[4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C2CC(C)CCC2C(C)C)cc1
InChIInChI=1S/C19H26O2/c1-5-19(20)21-16-9-7-15(8-10-16)18-12-14(4)6-11-17(18)13(2)3/h5,7-10,13-14,17-18H,1,6,11-12H2,2-4H3
InChIKeyIRHDLDNIRFJVJJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.95
Rot. Bonds4

About [4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate

[4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate (PubChem CID 67635829) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is [4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate
PubChem CID67635829
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name[4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C2CC(C)CCC2C(C)C)cc1
InChIInChI=1S/C19H26O2/c1-5-19(20)21-16-9-7-15(8-10-16)18-12-14(4)6-11-17(18)13(2)3/h5,7-10,13-14,17-18H,1,6,11-12H2,2-4H3
InChIKeyIRHDLDNIRFJVJJ-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate?
The IUPAC name of [4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate (CID 67635829) is [4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate.
What is the SMILES notation for [4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate?
The canonical SMILES for [4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(C2CC(C)CCC2C(C)C)cc1.
What is the InChIKey of [4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate?
The InChIKey is IRHDLDNIRFJVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-5-19(20)21-16-9-7-15(8-10-16)18-12-14(4)6-11-17(18)13(2)3/h5,7-10,13-14,17-18H,1,6,11-12H2,2-4H3.
What are the key properties of [4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate?
[4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate has a molecular weight of 286.42 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate is sourced from PubChem (CID 67635829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).