4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol

C17H27FO — CID 130315613

IUPAC4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol
SMILESCCCC(O)(CCCC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H27FO/c1-5-11-17(19,13-6-12-16(2,3)4)14-7-9-15(18)10-8-14/h7-10,19H,5-6,11-13H2,1-4H3
InChIKeyCQYBBCNKAQBLCZ-UHFFFAOYSA-N
MW266.40 g/mol
LogP5.03
Rot. Bonds6

About 4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol

4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol (PubChem CID 130315613) has the molecular formula C17H27FO and a molecular weight of 266.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol
PubChem CID130315613
Molecular FormulaC17H27FO
Molecular Weight266.40 g/mol
Exact Mass266.20
IUPAC Name4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol
SMILESCCCC(O)(CCCC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H27FO/c1-5-11-17(19,13-6-12-16(2,3)4)14-7-9-15(18)10-8-14/h7-10,19H,5-6,11-13H2,1-4H3
InChIKeyCQYBBCNKAQBLCZ-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.40
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-fluorophenyl)-8,8-dimethylnonan-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

Related Compounds

4-(4-fluoro-3-phosphanylphenyl)octan-4-ol
CID 176969413
3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol
CID 114209768
ethanimine;3-[4-(4-fluoroanilino)phenyl]hexan-3-ol
CID 143670849
2-(4-fluorophenyl)propan-2-ol
CID 637733
4-(4-ethoxyphenyl)heptan-4-ol
CID 114865928
1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol
CID 62772830
N-(4,4-dimethylpentyl)-4-fluoroaniline
CID 69410381
2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol
CID 155686228
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
2-(4-fluorophenyl)-6-methylheptan-2-ol
CID 83158726
4-(2,5-difluorophenyl)heptan-4-ol
CID 114866152
4-(4-propan-2-yloxyphenyl)heptan-4-ol
CID 114866121

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol (CID 130315613) is 4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol is CCCC(O)(CCCC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol?
The InChIKey is CQYBBCNKAQBLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FO/c1-5-11-17(19,13-6-12-16(2,3)4)14-7-9-15(18)10-8-14/h7-10,19H,5-6,11-13H2,1-4H3.
What are the key properties of 4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol?
4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol has a molecular weight of 266.40 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol is sourced from PubChem (CID 130315613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).