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

C14H20F2O2 — CID 116713005

IUPAC1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol
SMILESCOC(C(O)Cc1cccc(F)c1F)C(C)(C)C
InChIInChI=1S/C14H20F2O2/c1-14(2,3)13(18-4)11(17)8-9-6-5-7-10(15)12(9)16/h5-7,11,13,17H,8H2,1-4H3
InChIKeyQFKTVOYNDUHOFD-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.93
Rot. Bonds4

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

1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol (PubChem CID 116713005) has the molecular formula C14H20F2O2 and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol
PubChem CID116713005
Molecular FormulaC14H20F2O2
Molecular Weight258.31 g/mol
Exact Mass258.14
IUPAC Name1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol
SMILESCOC(C(O)Cc1cccc(F)c1F)C(C)(C)C
InChIInChI=1S/C14H20F2O2/c1-14(2,3)13(18-4)11(17)8-9-6-5-7-10(15)12(9)16/h5-7,11,13,17H,8H2,1-4H3
InChIKeyQFKTVOYNDUHOFD-UHFFFAOYSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 105273557
1-(2,3-difluorophenyl)-4,4-dimethylpentan-2-ol
CID 63891069
1-(3-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712981
1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 102857480
1-(3,4-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713006
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
CID 116757101
2-[(2,3-difluorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83135397
3-(2,3-difluorophenyl)-1,1-dimethoxypropan-2-amine
CID 79493337
1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol
CID 115817051
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
1-(2,3-difluorophenyl)-4-methylpentan-2-ol
CID 62606503

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol (CID 116713005) is 1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol is COC(C(O)Cc1cccc(F)c1F)C(C)(C)C.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol?
The InChIKey is QFKTVOYNDUHOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O2/c1-14(2,3)13(18-4)11(17)8-9-6-5-7-10(15)12(9)16/h5-7,11,13,17H,8H2,1-4H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol?
1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol has a molecular weight of 258.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 116713005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).