1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol

C12H16F2O2 — CID 79197177

IUPAC1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)Cc1ccc(F)cc1F
InChIInChI=1S/C12H16F2O2/c1-12(2,16-3)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11,15H,6H2,1-3H3
InChIKeyQBIOAQPOYODBOU-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.29
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol

1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol (PubChem CID 79197177) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
PubChem CID79197177
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)Cc1ccc(F)cc1F
InChIInChI=1S/C12H16F2O2/c1-12(2,16-3)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11,15H,6H2,1-3H3
InChIKeyQBIOAQPOYODBOU-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-(2,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448979
3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62962606
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol
CID 62197542
2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 63894517
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 63895221
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79060702
2,4-difluoro-1-(2,2,2-trimethoxyethyl)benzene
CID 64561411
1-(2,5-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448861
[1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245389
1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103025007

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol (CID 79197177) is 1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol is COC(C)(C)C(O)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol?
The InChIKey is QBIOAQPOYODBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-12(2,16-3)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11,15H,6H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol?
1-(2,4-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-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 79197177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).