5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane

C17H26O2 — CID 155691915

IUPAC5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane
SMILESCCC.Cc1cc(O)c(C2=CC(C)CCC2)c(O)c1
InChIInChI=1S/C14H18O2.C3H8/c1-9-4-3-5-11(6-9)14-12(15)7-10(2)8-13(14)16;1-3-2/h6-9,15-16H,3-5H2,1-2H3;3H2,1-2H3
InChIKeyFROYPTJYYXVGSJ-UHFFFAOYSA-N
MW262.39 g/mol
LogP5.03
Rot. Bonds1

About 5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane

5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane (PubChem CID 155691915) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane.

Molecular Properties

Compound Name5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane
PubChem CID155691915
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane
SMILESCCC.Cc1cc(O)c(C2=CC(C)CCC2)c(O)c1
InChIInChI=1S/C14H18O2.C3H8/c1-9-4-3-5-11(6-9)14-12(15)7-10(2)8-13(14)16;1-3-2/h6-9,15-16H,3-5H2,1-2H3;3H2,1-2H3
InChIKeyFROYPTJYYXVGSJ-UHFFFAOYSA-N
XLogP5.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.39
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane 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 5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane?
The IUPAC name of 5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane (CID 155691915) is 5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane.
What is the SMILES notation for 5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane?
The canonical SMILES for 5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane is CCC.Cc1cc(O)c(C2=CC(C)CCC2)c(O)c1.
What is the InChIKey of 5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane?
The InChIKey is FROYPTJYYXVGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2.C3H8/c1-9-4-3-5-11(6-9)14-12(15)7-10(2)8-13(14)16;1-3-2/h6-9,15-16H,3-5H2,1-2H3;3H2,1-2H3.
What are the key properties of 5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane?
5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane has a molecular weight of 262.39 g/mol, XLogP of 5.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylcyclohexen-1-yl)benzene-1,3-diol;propane is sourced from PubChem (CID 155691915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).