4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol

C17H27FO — CID 114865108

IUPAC4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol
SMILESCc1cc(F)ccc1CC(O)(CC(C)C)CC(C)C
InChIInChI=1S/C17H27FO/c1-12(2)9-17(19,10-13(3)4)11-15-6-7-16(18)8-14(15)5/h6-8,12-13,19H,9-11H2,1-5H3
InChIKeyZLNKXZKPBRMKKR-UHFFFAOYSA-N
MW266.40 g/mol
LogP4.50
Rot. Bonds6

About 4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol

4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol (PubChem CID 114865108) has the molecular formula C17H27FO and a molecular weight of 266.40 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol.

Molecular Properties

Compound Name4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol
PubChem CID114865108
Molecular FormulaC17H27FO
Molecular Weight266.40 g/mol
Exact Mass266.20
IUPAC Name4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol
SMILESCc1cc(F)ccc1CC(O)(CC(C)C)CC(C)C
InChIInChI=1S/C17H27FO/c1-12(2)9-17(19,10-13(3)4)11-15-6-7-16(18)8-14(15)5/h6-8,12-13,19H,9-11H2,1-5H3
InChIKeyZLNKXZKPBRMKKR-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol?
The IUPAC name of 4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol (CID 114865108) is 4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol.
What is the SMILES notation for 4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol?
The canonical SMILES for 4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol is Cc1cc(F)ccc1CC(O)(CC(C)C)CC(C)C.
What is the InChIKey of 4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol?
The InChIKey is ZLNKXZKPBRMKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FO/c1-12(2)9-17(19,10-13(3)4)11-15-6-7-16(18)8-14(15)5/h6-8,12-13,19H,9-11H2,1-5H3.
What are the key properties of 4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol?
4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol has a molecular weight of 266.40 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol is sourced from PubChem (CID 114865108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).