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

C15H23FO — CID 114833191

IUPAC1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol
SMILESCCCC(C)CC(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C15H23FO/c1-4-5-12(2)10-15(3,17)11-13-6-8-14(16)9-7-13/h6-9,12,17H,4-5,10-11H2,1-3H3
InChIKeyDJNIEZOOLJVUEU-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.95
Rot. Bonds6

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

1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol (PubChem CID 114833191) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol
PubChem CID114833191
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol
SMILESCCCC(C)CC(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C15H23FO/c1-4-5-12(2)10-15(3,17)11-13-6-8-14(16)9-7-13/h6-9,12,17H,4-5,10-11H2,1-3H3
InChIKeyDJNIEZOOLJVUEU-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol
CID 114832950
1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol
CID 107892822
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
2-(3-fluorophenyl)-4-methylheptan-2-ol
CID 65145180
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
4-(4-fluorophenyl)-3-hydroxy-3-methylbutanenitrile
CID 114835001
1-(4-fluorophenyl)-4-methylheptan-2-one
CID 62622075
3-[(4-fluorophenyl)methyl]pentan-3-ol
CID 60797567
1-fluoro-4-(2,2,3-trimethylbutyl)benzene
CID 59019242
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol (CID 114833191) is 1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol is CCCC(C)CC(C)(O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol?
The InChIKey is DJNIEZOOLJVUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-4-5-12(2)10-15(3,17)11-13-6-8-14(16)9-7-13/h6-9,12,17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol?
1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol has a molecular weight of 238.35 g/mol, XLogP of 3.95, 6 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-dimethylheptan-2-ol is sourced from PubChem (CID 114833191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).