1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol

C14H22O3 — CID 116928719

IUPAC1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol
SMILESCOc1cc(CC(C)(C)O)c(OC)c(C)c1C
InChIInChI=1S/C14H22O3/c1-9-10(2)13(17-6)11(7-12(9)16-5)8-14(3,4)15/h7,15H,8H2,1-6H3
InChIKeyKJCPALAYLKQTTQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.63
Rot. Bonds4

About 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol

1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol (PubChem CID 116928719) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol
PubChem CID116928719
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol
SMILESCOc1cc(CC(C)(C)O)c(OC)c(C)c1C
InChIInChI=1S/C14H22O3/c1-9-10(2)13(17-6)11(7-12(9)16-5)8-14(3,4)15/h7,15H,8H2,1-6H3
InChIKeyKJCPALAYLKQTTQ-UHFFFAOYSA-N
XLogP2.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol
CID 82126628
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
CID 116926714
2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol
CID 10939314
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
2-(2,5-dimethoxy-N,3,4-trimethylanilino)-2-methylpropan-1-ol
CID 115133353
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 117349580
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea
CID 115169191
N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 115140029
1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168734

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol (CID 116928719) is 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol is COc1cc(CC(C)(C)O)c(OC)c(C)c1C.
What is the InChIKey of 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol?
The InChIKey is KJCPALAYLKQTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-9-10(2)13(17-6)11(7-12(9)16-5)8-14(3,4)15/h7,15H,8H2,1-6H3.
What are the key properties of 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol?
1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 116928719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).