1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol

C12H16ClFO — CID 59875248

IUPAC1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol
SMILESCCCCC(O)(F)c1cc(Cl)ccc1C
InChIInChI=1S/C12H16ClFO/c1-3-4-7-12(14,15)11-8-10(13)6-5-9(11)2/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyULMDETUQGAPJEG-UHFFFAOYSA-N
MW230.71 g/mol
LogP3.95
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol

1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol (PubChem CID 59875248) has the molecular formula C12H16ClFO and a molecular weight of 230.71 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol
PubChem CID59875248
Molecular FormulaC12H16ClFO
Molecular Weight230.71 g/mol
Exact Mass230.09
IUPAC Name1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol
SMILESCCCCC(O)(F)c1cc(Cl)ccc1C
InChIInChI=1S/C12H16ClFO/c1-3-4-7-12(14,15)11-8-10(13)6-5-9(11)2/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyULMDETUQGAPJEG-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-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-(5-chloro-2-methylphenyl)-4-propylheptan-3-one
CID 168997413
1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 67599120
3-(2,4-dichlorophenyl)-2-methylheptan-3-ol
CID 139474082
4-chloro-2-methyl-1-(trifluoromethyl)benzene
CID 12712338
1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189
tert-butyl N-[4-chloro-2-(1,1,1-trifluoro-2-hydroxyhexan-2-yl)phenyl]carbamate
CID 54166693
(2S)-2-(5-chloro-2-methylphenyl)-3-methylbutan-2-ol
CID 97294242
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-pentylurea
CID 108990788
1-(5-chloro-2-methylphenyl)decan-1-ol
CID 115783029
2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol
CID 170770350
2-(2,4-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83957607
N-butyl-4-[4-chloro-2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113103935

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol (CID 59875248) is 1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol is CCCCC(O)(F)c1cc(Cl)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol?
The InChIKey is ULMDETUQGAPJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO/c1-3-4-7-12(14,15)11-8-10(13)6-5-9(11)2/h5-6,8,15H,3-4,7H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol?
1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol has a molecular weight of 230.71 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol is sourced from PubChem (CID 59875248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).