8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol

C21H36O2 — CID 70502120

IUPAC8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol
SMILESCOC(C)(C)CCCC(C)CCC(O)c1ccccc1C(C)C
InChIInChI=1S/C21H36O2/c1-16(2)18-11-7-8-12-19(18)20(22)14-13-17(3)10-9-15-21(4,5)23-6/h7-8,11-12,16-17,20,22H,9-10,13-15H2,1-6H3
InChIKeyKLABIVKZZUNFHQ-UHFFFAOYSA-N
MW320.52 g/mol
LogP5.86
Rot. Bonds10

About 8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol

8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol (PubChem CID 70502120) has the molecular formula C21H36O2 and a molecular weight of 320.52 g/mol. Its IUPAC name is 8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol.

Molecular Properties

Compound Name8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol
PubChem CID70502120
Molecular FormulaC21H36O2
Molecular Weight320.52 g/mol
Exact Mass320.27
IUPAC Name8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol
SMILESCOC(C)(C)CCCC(C)CCC(O)c1ccccc1C(C)C
InChIInChI=1S/C21H36O2/c1-16(2)18-11-7-8-12-19(18)20(22)14-13-17(3)10-9-15-21(4,5)23-6/h7-8,11-12,16-17,20,22H,9-10,13-15H2,1-6H3
InChIKeyKLABIVKZZUNFHQ-UHFFFAOYSA-N
XLogP5.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 141407511

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol?
The IUPAC name of 8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol (CID 70502120) is 8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol.
What is the SMILES notation for 8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol?
The canonical SMILES for 8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol is COC(C)(C)CCCC(C)CCC(O)c1ccccc1C(C)C.
What is the InChIKey of 8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol?
The InChIKey is KLABIVKZZUNFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2/c1-16(2)18-11-7-8-12-19(18)20(22)14-13-17(3)10-9-15-21(4,5)23-6/h7-8,11-12,16-17,20,22H,9-10,13-15H2,1-6H3.
What are the key properties of 8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol?
8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol has a molecular weight of 320.52 g/mol, XLogP of 5.86, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4,8-dimethyl-1-(2-propan-2-ylphenyl)nonan-1-ol is sourced from PubChem (CID 70502120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).