1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol

C14H22O2 — CID 79444953

IUPAC1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)Cc1ccc(OC)cc1
InChIInChI=1S/C14H22O2/c1-5-11(2)14(3,15)10-12-6-8-13(16-4)9-7-12/h6-9,11,15H,5,10H2,1-4H3
InChIKeyYMFLPOQKBCWABW-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.03
Rot. Bonds5

About 1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol

1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol (PubChem CID 79444953) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol
PubChem CID79444953
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)Cc1ccc(OC)cc1
InChIInChI=1S/C14H22O2/c1-5-11(2)14(3,15)10-12-6-8-13(16-4)9-7-12/h6-9,11,15H,5,10H2,1-4H3
InChIKeyYMFLPOQKBCWABW-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 65147130
ethyl 3-hydroxy-4-(4-methoxyphenyl)-3-methyl-2-propan-2-ylbutanoate
CID 63271146
1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 82919789
1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol
CID 65145568
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol
CID 79189896
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile
CID 79129241
1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270750

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol?
The IUPAC name of 1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol (CID 79444953) is 1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol is CCC(C)C(C)(O)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol?
The InChIKey is YMFLPOQKBCWABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-11(2)14(3,15)10-12-6-8-13(16-4)9-7-12/h6-9,11,15H,5,10H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol?
1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 79444953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).