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

C19H26O2 — CID 67635828

IUPAC[2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1C1CC(C)CCC1C(C)C
InChIInChI=1S/C19H26O2/c1-5-19(20)21-18-9-7-6-8-16(18)17-12-14(4)10-11-15(17)13(2)3/h5-9,13-15,17H,1,10-12H2,2-4H3
InChIKeyUVXTZKDEOIANMS-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.95
Rot. Bonds4

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

[2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate (PubChem CID 67635828) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is [2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate
PubChem CID67635828
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name[2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1C1CC(C)CCC1C(C)C
InChIInChI=1S/C19H26O2/c1-5-19(20)21-18-9-7-6-8-16(18)17-12-14(4)10-11-15(17)13(2)3/h5-9,13-15,17H,1,10-12H2,2-4H3
InChIKeyUVXTZKDEOIANMS-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'}

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

[4-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate
CID 67635829
[2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium
CID 54332940
CID 67461549
CID 67461549
2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)propanoic acid;2-(5-methyl-2-propan-2-ylcyclohexyl)benzoic acid
CID 69121792
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (E)-3-phenylprop-2-enoate
CID 7053810
1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene
CID 139322901
2-N,6-N-bis[3-(5-methyl-2-propan-2-ylcyclohexyl)-2-pyridinyl]naphthalene-2,6-dicarboxamide
CID 172636273
(5-methyl-2-propan-2-ylcyclohexyl) (E)-2-benzoyl-3-phenylprop-2-enoate
CID 6377362
(2-methoxyphenyl) prop-2-enoate
CID 22987486
trans-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S,3S)-2,3-diphenylcyclopropane-1-carboxylate
CID 11440296
methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 67919748
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 11086510

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate?
The IUPAC name of [2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate (CID 67635828) is [2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate.
What is the SMILES notation for [2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate?
The canonical SMILES for [2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate is C=CC(=O)Oc1ccccc1C1CC(C)CCC1C(C)C.
What is the InChIKey of [2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate?
The InChIKey is UVXTZKDEOIANMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-5-19(20)21-18-9-7-6-8-16(18)17-12-14(4)10-11-15(17)13(2)3/h5-9,13-15,17H,1,10-12H2,2-4H3.
What are the key properties of [2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate?
[2-(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 [2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate is sourced from PubChem (CID 67635828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).