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

C13H19ClO — CID 115484513

IUPAC1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol
SMILESCCCCC(O)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C13H19ClO/c1-4-5-6-13(15)11-7-9(2)10(3)8-12(11)14/h7-8,13,15H,4-6H2,1-3H3
InChIKeyXXHNQINIICEYMV-UHFFFAOYSA-N
MW226.75 g/mol
LogP4.18
Rot. Bonds4

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

1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol (PubChem CID 115484513) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol
PubChem CID115484513
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol
SMILESCCCCC(O)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C13H19ClO/c1-4-5-6-13(15)11-7-9(2)10(3)8-12(11)14/h7-8,13,15H,4-6H2,1-3H3
InChIKeyXXHNQINIICEYMV-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol
CID 115484477
5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one
CID 82174523
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115484564
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758
1-(5-chloro-2-methylphenyl)decan-1-ol
CID 115783029
1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 81045937
1-(4-amino-2-chlorophenyl)octan-1-ol
CID 112736197
1-(2-bromo-4,5-dimethylphenyl)butan-1-ol
CID 83988264
1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol
CID 83988226
1-(5-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 102764394
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)pentan-1-ol?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol (CID 115484513) is 1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol is CCCCC(O)c1cc(C)c(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol?
The InChIKey is XXHNQINIICEYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-4-5-6-13(15)11-7-9(2)10(3)8-12(11)14/h7-8,13,15H,4-6H2,1-3H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol?
1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol has a molecular weight of 226.75 g/mol, XLogP of 4.18, 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)pentan-1-ol is sourced from PubChem (CID 115484513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).