2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol

C13H20O2 — CID 117297885

IUPAC2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(C)ccc(C(C)(C)CO)c1C
InChIInChI=1S/C13H20O2/c1-9-6-7-11(13(3,4)8-14)10(2)12(9)15-5/h6-7,14H,8H2,1-5H3
InChIKeyIWULFAOSJOWIMH-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.58
Rot. Bonds3

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

2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol (PubChem CID 117297885) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol
PubChem CID117297885
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(C)ccc(C(C)(C)CO)c1C
InChIInChI=1S/C13H20O2/c1-9-6-7-11(13(3,4)8-14)10(2)12(9)15-5/h6-7,14H,8H2,1-5H3
InChIKeyIWULFAOSJOWIMH-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82288338
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol
CID 117358931
6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117333416
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 117349580
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 117289363
2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117389312
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
(2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
CID 131076413
1-tert-butyl-2-methoxy-3,4-dimethylbenzene;propane;hydrate
CID 176957976
3-(2,3-dimethoxy-4-methylphenyl)-3-hydroxybutanoic acid
CID 12617565
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117463241
2-(3-methoxy-2,4-dimethylphenyl)propan-1-ol
CID 117284773

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol (CID 117297885) is 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol is COc1c(C)ccc(C(C)(C)CO)c1C.
What is the InChIKey of 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol?
The InChIKey is IWULFAOSJOWIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9-6-7-11(13(3,4)8-14)10(2)12(9)15-5/h6-7,14H,8H2,1-5H3.
What are the key properties of 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol?
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117297885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).