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

C14H21FO — CID 105375980

IUPAC2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol
SMILESCc1ccc(F)cc1CC(C)(CO)C(C)C
InChIInChI=1S/C14H21FO/c1-10(2)14(4,9-16)8-12-7-13(15)6-5-11(12)3/h5-7,10,16H,8-9H2,1-4H3
InChIKeyKUZLCSQMAHDQIP-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.33
Rot. Bonds4

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

2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol (PubChem CID 105375980) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol
PubChem CID105375980
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol
SMILESCc1ccc(F)cc1CC(C)(CO)C(C)C
InChIInChI=1S/C14H21FO/c1-10(2)14(4,9-16)8-12-7-13(15)6-5-11(12)3/h5-7,10,16H,8-9H2,1-4H3
InChIKeyKUZLCSQMAHDQIP-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol
CID 105376091
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
CID 83151720
2-[2,2-bis(bromomethyl)-3-methylbutyl]-4-fluoro-1-methylbenzene
CID 105376136
1-[2-(chloromethyl)-2,3-dimethylbutyl]-4-fluoro-2-methylbenzene
CID 114349945
1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105372977
3-(5-fluoro-2-methylphenyl)-2-hydroxy-2-methylpropanal
CID 105372913
3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 105372912
1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine
CID 83698852
ethyl 2-(aminomethyl)-2-[(5-fluoro-2-methylphenyl)methyl]-3-methylbutanoate
CID 106488682
4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine
CID 105376290
2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol
CID 105376102
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylbutanoic acid
CID 105372510

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol (CID 105375980) is 2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol is Cc1ccc(F)cc1CC(C)(CO)C(C)C.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol?
The InChIKey is KUZLCSQMAHDQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-10(2)14(4,9-16)8-12-7-13(15)6-5-11(12)3/h5-7,10,16H,8-9H2,1-4H3.
What are the key properties of 2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol?
2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol has a molecular weight of 224.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 105375980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).