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

C13H19FO — CID 64515839

IUPAC1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol
SMILESCc1cc(CCC(O)C(C)C)ccc1F
InChIInChI=1S/C13H19FO/c1-9(2)13(15)7-5-11-4-6-12(14)10(3)8-11/h4,6,8-9,13,15H,5,7H2,1-3H3
InChIKeyMVLKJEJRSKNEAB-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.08
Rot. Bonds4

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

1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol (PubChem CID 64515839) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol
PubChem CID64515839
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol
SMILESCc1cc(CCC(O)C(C)C)ccc1F
InChIInChI=1S/C13H19FO/c1-9(2)13(15)7-5-11-4-6-12(14)10(3)8-11/h4,6,8-9,13,15H,5,7H2,1-3H3
InChIKeyMVLKJEJRSKNEAB-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-fluoro-3-methylphenyl)butan-2-ol
CID 64516741
1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol
CID 64514428
1-(4-fluoro-3-methylphenyl)pentan-3-ol
CID 64515114
(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
CID 90212776
1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylpentan-3-ol
CID 107290287
5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 79735912
4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol
CID 82398888
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141021
1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol
CID 10451827
1-fluoro-2-methyl-4-(2-methylpentyl)benzene
CID 143267587
[2-(4-fluoro-3-methylphenyl)ethylamino]methanethiol
CID 115228200
4-(4-fluoro-3-methylphenyl)-3-methylbutan-1-amine
CID 83931066

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol (CID 64515839) is 1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol is Cc1cc(CCC(O)C(C)C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol?
The InChIKey is MVLKJEJRSKNEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-9(2)13(15)7-5-11-4-6-12(14)10(3)8-11/h4,6,8-9,13,15H,5,7H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol?
1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol has a molecular weight of 210.29 g/mol, XLogP of 3.08, 4 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)-4-methylpentan-3-ol is sourced from PubChem (CID 64515839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).