cyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol

C23H31NO3 — CID 14770322

IUPACcyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol
SMILESCOc1c(C)c(C)c(OC)c(C(O)(c2cccnc2)C2CCCCC2)c1C
InChIInChI=1S/C23H31NO3/c1-15-16(2)22(27-5)20(17(3)21(15)26-4)23(25,18-10-7-6-8-11-18)19-12-9-13-24-14-19/h9,12-14,18,25H,6-8,10-11H2,1-5H3
InChIKeyDWGLEXRSKWCKTP-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.84
Rot. Bonds5

About cyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol

cyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol (PubChem CID 14770322) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is cyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Namecyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol
PubChem CID14770322
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Namecyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol
SMILESCOc1c(C)c(C)c(OC)c(C(O)(c2cccnc2)C2CCCCC2)c1C
InChIInChI=1S/C23H31NO3/c1-15-16(2)22(27-5)20(17(3)21(15)26-4)23(25,18-10-7-6-8-11-18)19-12-9-13-24-14-19/h9,12-14,18,25H,6-8,10-11H2,1-5H3
InChIKeyDWGLEXRSKWCKTP-UHFFFAOYSA-N
XLogP4.84
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol 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

CID 11506923
CID 11506923
CID 25033731
CID 25033731
CID 25129117
CID 25129117
CID 44586852
CID 44586852
CID 46887511
CID 46887511
CID 11543201
CID 11543201
CID 25033656
CID 25033656
CID 25033729
CID 25033729
CID 25034425
CID 25034425
CID 25034491
CID 25034491
CID 25034493
CID 25034493
CID 10546465
CID 10546465

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol?
The IUPAC name of cyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol (CID 14770322) is cyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for cyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol?
The canonical SMILES for cyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol is COc1c(C)c(C)c(OC)c(C(O)(c2cccnc2)C2CCCCC2)c1C.
What is the InChIKey of cyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol?
The InChIKey is DWGLEXRSKWCKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-15-16(2)22(27-5)20(17(3)21(15)26-4)23(25,18-10-7-6-8-11-18)19-12-9-13-24-14-19/h9,12-14,18,25H,6-8,10-11H2,1-5H3.
What are the key properties of cyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol?
cyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol has a molecular weight of 369.51 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2,5-dimethoxy-3,4,6-trimethylphenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 14770322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).