1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol

C11H15FO — CID 142848449

IUPAC1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol
SMILESCc1ccc(F)c(CC(C)(C)O)c1
InChIInChI=1S/C11H15FO/c1-8-4-5-10(12)9(6-8)7-11(2,3)13/h4-6,13H,7H2,1-3H3
InChIKeyUHMPZLHFYOAPCJ-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.45
Rot. Bonds2

About 1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol

1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol (PubChem CID 142848449) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol
PubChem CID142848449
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol
SMILESCc1ccc(F)c(CC(C)(C)O)c1
InChIInChI=1S/C11H15FO/c1-8-4-5-10(12)9(6-8)7-11(2,3)13/h4-6,13H,7H2,1-3H3
InChIKeyUHMPZLHFYOAPCJ-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid
CID 83402760
4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol
CID 142361288
(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 103674230
3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal
CID 103047679
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
(2-fluoro-5-methylphenyl)methylsulfanylmethanol
CID 174380903
3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
O-[(2-fluoro-5-methylphenyl)methyl]hydroxylamine
CID 83808202
1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide
CID 66604301
ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
CID 145227313

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol (CID 142848449) is 1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol is Cc1ccc(F)c(CC(C)(C)O)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol?
The InChIKey is UHMPZLHFYOAPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-8-4-5-10(12)9(6-8)7-11(2,3)13/h4-6,13H,7H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol?
1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol has a molecular weight of 182.24 g/mol, XLogP of 2.45, 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)-2-methylpropan-2-ol is sourced from PubChem (CID 142848449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).