1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol

C13H20O3 — CID 62534879

IUPAC1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
SMILESCOCC(C)(O)Cc1cc(C)ccc1OC
InChIInChI=1S/C13H20O3/c1-10-5-6-12(16-4)11(7-10)8-13(2,14)9-15-3/h5-7,14H,8-9H2,1-4H3
InChIKeyCPQTZZJEPNZXCZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.94
Rot. Bonds5

About 1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol

1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol (PubChem CID 62534879) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
PubChem CID62534879
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
SMILESCOCC(C)(O)Cc1cc(C)ccc1OC
InChIInChI=1S/C13H20O3/c1-10-5-6-12(16-4)11(7-10)8-13(2,14)9-15-3/h5-7,14H,8-9H2,1-4H3
InChIKeyCPQTZZJEPNZXCZ-UHFFFAOYSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol
CID 80557783
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol
CID 83075942
1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 114833348
methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate
CID 106487848
1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 78927372
3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine
CID 82141632
N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine
CID 55106705
2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3-oxobutanenitrile
CID 65394428
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol
CID 80557519
4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid
CID 65298753
2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene
CID 83153060

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol (CID 62534879) is 1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol is COCC(C)(O)Cc1cc(C)ccc1OC.
What is the InChIKey of 1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol?
The InChIKey is CPQTZZJEPNZXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-10-5-6-12(16-4)11(7-10)8-13(2,14)9-15-3/h5-7,14H,8-9H2,1-4H3.
What are the key properties of 1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol?
1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 62534879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).