1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol

C13H20O2 — CID 63892362

IUPAC1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
SMILESCOc1cccc(C(O)CC(C)(C)C)c1
InChIInChI=1S/C13H20O2/c1-13(2,3)9-12(14)10-6-5-7-11(8-10)15-4/h5-8,12,14H,9H2,1-4H3
InChIKeyJMNKIVYBUQECAG-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.16
Rot. Bonds3

About 1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol

1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol (PubChem CID 63892362) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
PubChem CID63892362
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
SMILESCOc1cccc(C(O)CC(C)(C)C)c1
InChIInChI=1S/C13H20O2/c1-13(2,3)9-12(14)10-6-5-7-11(8-10)15-4/h5-8,12,14H,9H2,1-4H3
InChIKeyJMNKIVYBUQECAG-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)butan-1-ol
CID 2793894
3,3,4,4,5,5,6,6,7,7,7-undecafluoro-1-(3-methoxyphenyl)heptan-1-ol
CID 156764306
[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate
CID 135065936
4-hydroxy-4-(3-methoxyphenyl)-2-methyl-2-(methylcarbamoyl)butanoic acid
CID 114900161
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
1-(3-methoxyphenyl)pentane-1,4-diol
CID 81134047
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
CID 112588838
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 111437211
3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 103027521

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol?
The IUPAC name of 1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol (CID 63892362) is 1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol is COc1cccc(C(O)CC(C)(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol?
The InChIKey is JMNKIVYBUQECAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-13(2,3)9-12(14)10-6-5-7-11(8-10)15-4/h5-8,12,14H,9H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol?
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 63892362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).