1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol

C15H24O3 — CID 66039335

IUPAC1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol
SMILESCOC(OC)C(C)(O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24O3/c1-10-7-11(2)13(12(3)8-10)9-15(4,16)14(17-5)18-6/h7-8,14,16H,9H2,1-6H3
InChIKeyKJMCKLZJNUBLKD-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.52
Rot. Bonds5

About 1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol

1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol (PubChem CID 66039335) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol
PubChem CID66039335
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol
SMILESCOC(OC)C(C)(O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24O3/c1-10-7-11(2)13(12(3)8-10)9-15(4,16)14(17-5)18-6/h7-8,14,16H,9H2,1-6H3
InChIKeyKJMCKLZJNUBLKD-UHFFFAOYSA-N
XLogP2.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol?
The IUPAC name of 1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol (CID 66039335) is 1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol.
What is the SMILES notation for 1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol?
The canonical SMILES for 1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol is COC(OC)C(C)(O)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol?
The InChIKey is KJMCKLZJNUBLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-10-7-11(2)13(12(3)8-10)9-15(4,16)14(17-5)18-6/h7-8,14,16H,9H2,1-6H3.
What are the key properties of 1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol?
1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol has a molecular weight of 252.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-methyl-3-(2,4,6-trimethylphenyl)propan-2-ol is sourced from PubChem (CID 66039335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).