2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol

C13H20O2 — CID 591994

IUPAC2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
SMILESCOc1ccccc1C(C)(O)C(C)(C)C
InChIInChI=1S/C13H20O2/c1-12(2,3)13(4,14)10-8-6-7-9-11(10)15-5/h6-9,14H,1-5H3
InChIKeyZRARASAOFQXBDZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.95
Rot. Bonds2

About 2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol

2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol (PubChem CID 591994) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
PubChem CID591994
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
SMILESCOc1ccccc1C(C)(O)C(C)(C)C
InChIInChI=1S/C13H20O2/c1-12(2,3)13(4,14)10-8-6-7-9-11(10)15-5/h6-9,14H,1-5H3
InChIKeyZRARASAOFQXBDZ-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302790
(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
CID 102236965
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
1-(4-tert-butylphenyl)-1-(2-methoxyphenyl)ethanol
CID 62549935
(2R)-2-(2-methoxyphenyl)but-3-en-2-ol
CID 124509510
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
3-(2-methoxyphenyl)penta-1,4-diyn-3-ol
CID 11056360
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol (CID 591994) is 2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol is COc1ccccc1C(C)(O)C(C)(C)C.
What is the InChIKey of 2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol?
The InChIKey is ZRARASAOFQXBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-12(2,3)13(4,14)10-8-6-7-9-11(10)15-5/h6-9,14H,1-5H3.
What are the key properties of 2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol?
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 591994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).