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

C22H36O2 — CID 12788220

IUPAC2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@@H]2C)c(O)c1
InChIInChI=1S/C22H36O2/c1-5-6-7-8-13-22(3,4)17-10-12-19(21(24)14-17)20-15-18(23)11-9-16(20)2/h10,12,14,16,18,20,23-24H,5-9,11,13,15H2,1-4H3/t16-,18+,20+/m0/s1
InChIKeyOTPOYNIGJRTIFG-ILZDJORESA-N
MW332.53 g/mol
LogP5.90
Rot. Bonds7

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

2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol (PubChem CID 12788220) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is 2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol.

Molecular Properties

Compound Name2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol
PubChem CID12788220
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@@H]2C)c(O)c1
InChIInChI=1S/C22H36O2/c1-5-6-7-8-13-22(3,4)17-10-12-19(21(24)14-17)20-15-18(23)11-9-16(20)2/h10,12,14,16,18,20,23-24H,5-9,11,13,15H2,1-4H3/t16-,18+,20+/m0/s1
InChIKeyOTPOYNIGJRTIFG-ILZDJORESA-N
XLogP5.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol?
The IUPAC name of 2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol (CID 12788220) is 2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol.
What is the SMILES notation for 2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol?
The canonical SMILES for 2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol is CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@@H]2C)c(O)c1.
What is the InChIKey of 2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol?
The InChIKey is OTPOYNIGJRTIFG-ILZDJORESA-N. The full InChI is InChI=1S/C22H36O2/c1-5-6-7-8-13-22(3,4)17-10-12-19(21(24)14-17)20-15-18(23)11-9-16(20)2/h10,12,14,16,18,20,23-24H,5-9,11,13,15H2,1-4H3/t16-,18+,20+/m0/s1.
What are the key properties of 2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol?
2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol has a molecular weight of 332.53 g/mol, XLogP of 5.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol is sourced from PubChem (CID 12788220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).