1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol

C13H19FO — CID 63891500

IUPAC1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol
SMILESCc1ccc(F)c(C(O)CC(C)(C)C)c1
InChIInChI=1S/C13H19FO/c1-9-5-6-11(14)10(7-9)12(15)8-13(2,3)4/h5-7,12,15H,8H2,1-4H3
InChIKeyFUJKEAXZAHGXPO-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.60
Rot. Bonds2

About 1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol

1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol (PubChem CID 63891500) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol
PubChem CID63891500
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol
SMILESCc1ccc(F)c(C(O)CC(C)(C)C)c1
InChIInChI=1S/C13H19FO/c1-9-5-6-11(14)10(7-9)12(15)8-13(2,3)4/h5-7,12,15H,8H2,1-4H3
InChIKeyFUJKEAXZAHGXPO-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol
CID 61100605
1-(2-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 62789444
1-(2-fluoro-5-methylphenyl)undecan-1-ol
CID 115789089
1-(2-fluoro-5-methylphenyl)but-3-en-1-ol
CID 116659989
1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol
CID 65129595
4-ethylsulfonyl-1-(2-fluoro-5-methylphenyl)butan-1-ol
CID 115803626
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol
CID 62962605
N-ethyl-1-(2-fluoro-5-methylphenyl)-3,5,5-trimethylhexan-1-amine
CID 115852817
1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylethanol
CID 62791168
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 115794441
1-(2-fluoro-5-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780077
1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol
CID 65141877

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol (CID 63891500) is 1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol is Cc1ccc(F)c(C(O)CC(C)(C)C)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol?
The InChIKey is FUJKEAXZAHGXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-9-5-6-11(14)10(7-9)12(15)8-13(2,3)4/h5-7,12,15H,8H2,1-4H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol?
1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol has a molecular weight of 210.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 63891500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).