bis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane

C24H36O4 — CID 160574395

IUPACbis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)CC1.Cc1ccc(O)c(O)c1.Cc1ccc(O)c(O)c1
InChIInChI=1S/C10H20.2C7H8O2/c1-8(2)10-6-4-9(3)5-7-10;2*1-5-2-3-6(8)7(9)4-5/h8-10H,4-7H2,1-3H3;2*2-4,8-9H,1H3
InChIKeyRAYOHMPBPXSUCV-UHFFFAOYSA-N
MW388.55 g/mol
LogP6.28
Rot. Bonds1

About bis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane

bis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane (PubChem CID 160574395) has the molecular formula C24H36O4 and a molecular weight of 388.55 g/mol. Its IUPAC name is bis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Namebis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane
PubChem CID160574395
Molecular FormulaC24H36O4
Molecular Weight388.55 g/mol
Exact Mass388.26
IUPAC Namebis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)CC1.Cc1ccc(O)c(O)c1.Cc1ccc(O)c(O)c1
InChIInChI=1S/C10H20.2C7H8O2/c1-8(2)10-6-4-9(3)5-7-10;2*1-5-2-3-6(8)7(9)4-5/h8-10H,4-7H2,1-3H3;2*2-4,8-9H,1H3
InChIKeyRAYOHMPBPXSUCV-UHFFFAOYSA-N
XLogP6.28
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 56.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane?
The IUPAC name of bis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane (CID 160574395) is bis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for bis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane?
The canonical SMILES for bis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane is CC1CCC(C(C)C)CC1.Cc1ccc(O)c(O)c1.Cc1ccc(O)c(O)c1.
What is the InChIKey of bis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane?
The InChIKey is RAYOHMPBPXSUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.2C7H8O2/c1-8(2)10-6-4-9(3)5-7-10;2*1-5-2-3-6(8)7(9)4-5/h8-10H,4-7H2,1-3H3;2*2-4,8-9H,1H3.
What are the key properties of bis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane?
bis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane has a molecular weight of 388.55 g/mol, XLogP of 6.28, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 160574395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).