2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol

C24H38O2 — CID 12788284

IUPAC2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol
SMILESC=CC[C@H]1CC[C@@H](O)C[C@@H]1c1ccc(C(C)(C)CCCCCC)cc1O
InChIInChI=1S/C24H38O2/c1-5-7-8-9-15-24(3,4)19-12-14-21(23(26)16-19)22-17-20(25)13-11-18(22)10-6-2/h6,12,14,16,18,20,22,25-26H,2,5,7-11,13,15,17H2,1,3-4H3/t18-,20+,22-/m0/s1
InChIKeyUECNXHCBRXLLJG-DWLFOUALSA-N
MW358.57 g/mol
LogP6.46
Rot. Bonds9

About 2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol

2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol (PubChem CID 12788284) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is 2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol.

Molecular Properties

Compound Name2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol
PubChem CID12788284
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol
SMILESC=CC[C@H]1CC[C@@H](O)C[C@@H]1c1ccc(C(C)(C)CCCCCC)cc1O
InChIInChI=1S/C24H38O2/c1-5-7-8-9-15-24(3,4)19-12-14-21(23(26)16-19)22-17-20(25)13-11-18(22)10-6-2/h6,12,14,16,18,20,22,25-26H,2,5,7-11,13,15,17H2,1,3-4H3/t18-,20+,22-/m0/s1
InChIKeyUECNXHCBRXLLJG-DWLFOUALSA-N
XLogP6.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol 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 2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol?
The IUPAC name of 2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol (CID 12788284) is 2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol.
What is the SMILES notation for 2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol?
The canonical SMILES for 2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol is C=CC[C@H]1CC[C@@H](O)C[C@@H]1c1ccc(C(C)(C)CCCCCC)cc1O.
What is the InChIKey of 2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol?
The InChIKey is UECNXHCBRXLLJG-DWLFOUALSA-N. The full InChI is InChI=1S/C24H38O2/c1-5-7-8-9-15-24(3,4)19-12-14-21(23(26)16-19)22-17-20(25)13-11-18(22)10-6-2/h6,12,14,16,18,20,22,25-26H,2,5,7-11,13,15,17H2,1,3-4H3/t18-,20+,22-/m0/s1.
What are the key properties of 2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol?
2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol has a molecular weight of 358.57 g/mol, XLogP of 6.46, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol is sourced from PubChem (CID 12788284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).