4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol

C12H17FO — CID 142361288

IUPAC4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol
SMILESCc1ccc(CCC(C)(C)O)c(F)c1
InChIInChI=1S/C12H17FO/c1-9-4-5-10(11(13)8-9)6-7-12(2,3)14/h4-5,8,14H,6-7H2,1-3H3
InChIKeyUHBIZXNYHDNBRV-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.84
Rot. Bonds3

About 4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol

4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol (PubChem CID 142361288) has the molecular formula C12H17FO and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol
PubChem CID142361288
Molecular FormulaC12H17FO
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol
SMILESCc1ccc(CCC(C)(C)O)c(F)c1
InChIInChI=1S/C12H17FO/c1-9-4-5-10(11(13)8-9)6-7-12(2,3)14/h4-5,8,14H,6-7H2,1-3H3
InChIKeyUHBIZXNYHDNBRV-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol
CID 82471705
4-(2-fluoro-4-methylphenyl)butan-2-one
CID 83696261
1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol
CID 142848449
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
2-(2-fluoro-4-methylphenyl)propan-2-ol
CID 58514695
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
4-(2-fluoro-4-methylphenyl)butanenitrile
CID 83925764
ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
CID 145227313
2-bromo-1-(2-fluoro-4-methylphenyl)-4,4-dimethylpentan-3-one
CID 55071639
2-(aminomethyl)-4-(2-fluoro-4-methylphenyl)butan-1-ol
CID 83925713
2-fluoro-4-methyl-1-(2-methylpropyl)benzene
CID 59283432
ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol
CID 144773818

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol?
The IUPAC name of 4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol (CID 142361288) is 4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol is Cc1ccc(CCC(C)(C)O)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol?
The InChIKey is UHBIZXNYHDNBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-9-4-5-10(11(13)8-9)6-7-12(2,3)14/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of 4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol?
4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol has a molecular weight of 196.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol is sourced from PubChem (CID 142361288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).