2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol

C25H42O3 — CID 13105202

IUPAC2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1ccc(C2CC(O)CCC2CCCOC)c(O)c1
InChIInChI=1S/C25H42O3/c1-5-6-7-8-15-25(2,3)20-12-14-22(24(27)17-20)23-18-21(26)13-11-19(23)10-9-16-28-4/h12,14,17,19,21,23,26-27H,5-11,13,15-16,18H2,1-4H3
InChIKeyMOPFZHMTANDERQ-UHFFFAOYSA-N
MW390.61 g/mol
LogP6.31
Rot. Bonds11

About 2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol

2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol (PubChem CID 13105202) has the molecular formula C25H42O3 and a molecular weight of 390.61 g/mol. Its IUPAC name is 2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol.

Molecular Properties

Compound Name2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
PubChem CID13105202
Molecular FormulaC25H42O3
Molecular Weight390.61 g/mol
Exact Mass390.31
IUPAC Name2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1ccc(C2CC(O)CCC2CCCOC)c(O)c1
InChIInChI=1S/C25H42O3/c1-5-6-7-8-15-25(2,3)20-12-14-22(24(27)17-20)23-18-21(26)13-11-19(23)10-9-16-28-4/h12,14,17,19,21,23,26-27H,5-11,13,15-16,18H2,1-4H3
InChIKeyMOPFZHMTANDERQ-UHFFFAOYSA-N
XLogP6.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-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-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol?
The IUPAC name of 2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol (CID 13105202) is 2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol.
What is the SMILES notation for 2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol?
The canonical SMILES for 2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol is CCCCCCC(C)(C)c1ccc(C2CC(O)CCC2CCCOC)c(O)c1.
What is the InChIKey of 2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol?
The InChIKey is MOPFZHMTANDERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O3/c1-5-6-7-8-15-25(2,3)20-12-14-22(24(27)17-20)23-18-21(26)13-11-19(23)10-9-16-28-4/h12,14,17,19,21,23,26-27H,5-11,13,15-16,18H2,1-4H3.
What are the key properties of 2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol?
2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol has a molecular weight of 390.61 g/mol, XLogP of 6.31, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol is sourced from PubChem (CID 13105202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).