1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol

C12H17FO — CID 60929106

IUPAC1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
SMILESCc1cc(C(O)CC(C)C)ccc1F
InChIInChI=1S/C12H17FO/c1-8(2)6-12(14)10-4-5-11(13)9(3)7-10/h4-5,7-8,12,14H,6H2,1-3H3
InChIKeyIOMLKLJZSYAYIZ-UHFFFAOYSA-N
MW196.27 g/mol
LogP3.21
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol

1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol (PubChem CID 60929106) has the molecular formula C12H17FO and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
PubChem CID60929106
Molecular FormulaC12H17FO
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
SMILESCc1cc(C(O)CC(C)C)ccc1F
InChIInChI=1S/C12H17FO/c1-8(2)6-12(14)10-4-5-11(13)9(3)7-10/h4-5,7-8,12,14H,6H2,1-3H3
InChIKeyIOMLKLJZSYAYIZ-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol
CID 114200460
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol
CID 55095039
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
4-(1-bromo-4-methylpentan-2-yl)-1-fluoro-2-methylbenzene
CID 82093449
2-(4-fluoro-3-methylphenyl)-4-methylpentanenitrile
CID 82077124
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63410710
2-tert-butylsulfanyl-1-(4-fluoro-3-methylphenyl)ethanol
CID 65132980
2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 65185897
N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide
CID 82113315
1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol
CID 62772558

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol (CID 60929106) is 1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol is Cc1cc(C(O)CC(C)C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol?
The InChIKey is IOMLKLJZSYAYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-8(2)6-12(14)10-4-5-11(13)9(3)7-10/h4-5,7-8,12,14H,6H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol?
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol has a molecular weight of 196.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 60929106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).