1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol

C14H21FO — CID 114832950

IUPAC1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol
SMILESCCC(C)CC(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FO/c1-4-11(2)9-14(3,16)10-12-5-7-13(15)8-6-12/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyFYUNFSMJKRGWHJ-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol

1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol (PubChem CID 114832950) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol
PubChem CID114832950
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol
SMILESCCC(C)CC(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FO/c1-4-11(2)9-14(3,16)10-12-5-7-13(15)8-6-12/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyFYUNFSMJKRGWHJ-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol
CID 114833191
1-(4-fluorophenyl)-4,4-dimethoxy-2-methylbutan-2-ol
CID 2781108
1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762
1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol
CID 66038175
1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol
CID 146003542
1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol
CID 107892822
4-(4-fluorophenyl)-3-hydroxy-3-methylbutanenitrile
CID 114835001
3-[(4-fluorophenyl)methyl]pentan-3-ol
CID 60797567
1-fluoro-4-(2,2,3-trimethylbutyl)benzene
CID 59019242
1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol
CID 114284823
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
CID 83151720
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol (CID 114832950) is 1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol is CCC(C)CC(C)(O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol?
The InChIKey is FYUNFSMJKRGWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-4-11(2)9-14(3,16)10-12-5-7-13(15)8-6-12/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol?
1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol has a molecular weight of 224.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol is sourced from PubChem (CID 114832950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).