1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol

C13H19FO — CID 62606774

IUPAC1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol
SMILESCc1ccc(F)cc1C(O)CCC(C)C
InChIInChI=1S/C13H19FO/c1-9(2)4-7-13(15)12-8-11(14)6-5-10(12)3/h5-6,8-9,13,15H,4,7H2,1-3H3
InChIKeyQXOKKWMDYVZIQS-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.60
Rot. Bonds4

About 1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol

1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol (PubChem CID 62606774) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol
PubChem CID62606774
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol
SMILESCc1ccc(F)cc1C(O)CCC(C)C
InChIInChI=1S/C13H19FO/c1-9(2)4-7-13(15)12-8-11(14)6-5-10(12)3/h5-6,8-9,13,15H,4,7H2,1-3H3
InChIKeyQXOKKWMDYVZIQS-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol
CID 63657486
[1-(5-fluoro-2-methylphenyl)-4-methylpentyl]hydrazine
CID 105207462
1-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutan-1-ol
CID 103090072
1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol
CID 62606584
1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol
CID 62791337
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 62791994
(1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol
CID 94420605
1-(2,5-dimethylphenyl)-5-methylhexan-1-ol
CID 83158845
(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 130864158
2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 84659101
1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol
CID 171871828
2-(2-chloro-4-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607143

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol (CID 62606774) is 1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol is Cc1ccc(F)cc1C(O)CCC(C)C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol?
The InChIKey is QXOKKWMDYVZIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-9(2)4-7-13(15)12-8-11(14)6-5-10(12)3/h5-6,8-9,13,15H,4,7H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol?
1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol has a molecular weight of 210.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 62606774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).