1-(2,4-dichlorophenyl)-4-methylpentan-1-ol

C12H16Cl2O — CID 61272351

IUPAC1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
SMILESCC(C)CCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2O/c1-8(2)3-6-12(15)10-5-4-9(13)7-11(10)14/h4-5,7-8,12,15H,3,6H2,1-2H3
InChIKeyXENLRDXTDKZJEX-UHFFFAOYSA-N
MW247.16 g/mol
LogP4.46
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-4-methylpentan-1-ol

1-(2,4-dichlorophenyl)-4-methylpentan-1-ol (PubChem CID 61272351) has the molecular formula C12H16Cl2O and a molecular weight of 247.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
PubChem CID61272351
Molecular FormulaC12H16Cl2O
Molecular Weight247.16 g/mol
Exact Mass246.06
IUPAC Name1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
SMILESCC(C)CCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2O/c1-8(2)3-6-12(15)10-5-4-9(13)7-11(10)14/h4-5,7-8,12,15H,3,6H2,1-2H3
InChIKeyXENLRDXTDKZJEX-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol
CID 15501082
(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171212560
1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033
1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol
CID 115484477
1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061
1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817552
2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929
3-(2,4-dichlorophenyl)-3-hydroxypropanal
CID 114795177
5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid
CID 62942590
1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol
CID 83158968
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
(1S,2R)-1-(2,4-dichlorophenyl)-2-methylbut-3-en-1-ol
CID 15421862

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-methylpentan-1-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-methylpentan-1-ol (CID 61272351) is 1-(2,4-dichlorophenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-methylpentan-1-ol is CC(C)CCC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-methylpentan-1-ol?
The InChIKey is XENLRDXTDKZJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O/c1-8(2)3-6-12(15)10-5-4-9(13)7-11(10)14/h4-5,7-8,12,15H,3,6H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-4-methylpentan-1-ol?
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol has a molecular weight of 247.16 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 61272351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).