1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol

C13H20O2 — CID 82126628

IUPAC1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol
SMILESCOc1cc(C)c(C)cc1CC(C)(C)O
InChIInChI=1S/C13H20O2/c1-9-6-11(8-13(3,4)14)12(15-5)7-10(9)2/h6-7,14H,8H2,1-5H3
InChIKeyYQCXTGUINUIMQB-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.63
Rot. Bonds3

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

1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol (PubChem CID 82126628) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol
PubChem CID82126628
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol
SMILESCOc1cc(C)c(C)cc1CC(C)(C)O
InChIInChI=1S/C13H20O2/c1-9-6-11(8-13(3,4)14)12(15-5)7-10(9)2/h6-7,14H,8H2,1-5H3
InChIKeyYQCXTGUINUIMQB-UHFFFAOYSA-N
XLogP2.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol
CID 116928719
4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 116925112
5-(4-methoxy-2,5-dimethylphenyl)-2-methylpentan-2-ol
CID 94686940
6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol
CID 98016089
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid
CID 82291639
1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol
CID 115136773
1-(2-chloroethyl)-2-methoxy-4,5-dimethylbenzene
CID 82469330
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134136
2-hydroxy-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpropanamide
CID 115178746

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol (CID 82126628) is 1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol is COc1cc(C)c(C)cc1CC(C)(C)O.
What is the InChIKey of 1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol?
The InChIKey is YQCXTGUINUIMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9-6-11(8-13(3,4)14)12(15-5)7-10(9)2/h6-7,14H,8H2,1-5H3.
What are the key properties of 1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol?
1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 82126628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).