1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol

C12H16F2O2 — CID 105405745

IUPAC1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O2/c1-12(2,16-3)11(15)6-8-4-9(13)7-10(14)5-8/h4-5,7,11,15H,6H2,1-3H3
InChIKeyJDMBNCMMTNDQHI-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.29
Rot. Bonds4

About 1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol

1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol (PubChem CID 105405745) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
PubChem CID105405745
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O2/c1-12(2,16-3)11(15)6-8-4-9(13)7-10(14)5-8/h4-5,7,11,15H,6H2,1-3H3
InChIKeyJDMBNCMMTNDQHI-UHFFFAOYSA-N
XLogP2.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol
CID 114228810
1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197177
1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197168
1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103029524
1-amino-3-(3,5-difluorophenyl)propan-2-ol
CID 83442505
3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol
CID 104736155
1-(3,5-difluorophenyl)-5-methoxypentan-2-ol
CID 115601584
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79708988
2-(3,5-difluorophenyl)-1-[4-(methoxymethyl)phenyl]ethanol
CID 105402605
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
1-(2-tert-butyl-1,3-thiazol-4-yl)-2-(3,5-difluorophenyl)ethanol
CID 105402780
1-(3-bromo-5-fluorophenyl)-3-(diethylamino)-3-methylbutan-2-ol
CID 79702695

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol (CID 105405745) is 1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol is COC(C)(C)C(O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol?
The InChIKey is JDMBNCMMTNDQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-12(2,16-3)11(15)6-8-4-9(13)7-10(14)5-8/h4-5,7,11,15H,6H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol?
1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol has a molecular weight of 230.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 105405745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).