1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol

C14H21ClO — CID 115484477

IUPAC1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol
SMILESCc1cc(Cl)c(C(O)CCC(C)C)cc1C
InChIInChI=1S/C14H21ClO/c1-9(2)5-6-14(16)12-7-10(3)11(4)8-13(12)15/h7-9,14,16H,5-6H2,1-4H3
InChIKeyYFHRPJGUDVSOTF-UHFFFAOYSA-N
MW240.77 g/mol
LogP4.43
Rot. Bonds4

About 1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol

1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol (PubChem CID 115484477) has the molecular formula C14H21ClO and a molecular weight of 240.77 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol
PubChem CID115484477
Molecular FormulaC14H21ClO
Molecular Weight240.77 g/mol
Exact Mass240.13
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol
SMILESCc1cc(Cl)c(C(O)CCC(C)C)cc1C
InChIInChI=1S/C14H21ClO/c1-9(2)5-6-14(16)12-7-10(3)11(4)8-13(12)15/h7-9,14,16H,5-6H2,1-4H3
InChIKeyYFHRPJGUDVSOTF-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.77
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-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

1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol
CID 115484513
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine
CID 113319435
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115484564
1-(2-chloro-4-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 81045782
5-(2-chloro-4,5-dimethylphenyl)hexane-2,3-diol
CID 83931560
1-(3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 61100498
1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol
CID 62606774
1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol
CID 102764586
1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol
CID 116831182
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol
CID 115484531

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol (CID 115484477) is 1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol is Cc1cc(Cl)c(C(O)CCC(C)C)cc1C.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol?
The InChIKey is YFHRPJGUDVSOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO/c1-9(2)5-6-14(16)12-7-10(3)11(4)8-13(12)15/h7-9,14,16H,5-6H2,1-4H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol?
1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol has a molecular weight of 240.77 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 115484477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).