1-(2,3-dichlorophenyl)-4-methylhexan-2-ol

C13H18Cl2O — CID 107312463

IUPAC1-(2,3-dichlorophenyl)-4-methylhexan-2-ol
SMILESCCC(C)CC(O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2O/c1-3-9(2)7-11(16)8-10-5-4-6-12(14)13(10)15/h4-6,9,11,16H,3,7-8H2,1-2H3
InChIKeyKYAIKUZWHSBNDU-UHFFFAOYSA-N
MW261.19 g/mol
LogP4.33
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-4-methylhexan-2-ol

1-(2,3-dichlorophenyl)-4-methylhexan-2-ol (PubChem CID 107312463) has the molecular formula C13H18Cl2O and a molecular weight of 261.19 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-methylhexan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-methylhexan-2-ol
PubChem CID107312463
Molecular FormulaC13H18Cl2O
Molecular Weight261.19 g/mol
Exact Mass260.07
IUPAC Name1-(2,3-dichlorophenyl)-4-methylhexan-2-ol
SMILESCCC(C)CC(O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2O/c1-3-9(2)7-11(16)8-10-5-4-6-12(14)13(10)15/h4-6,9,11,16H,3,7-8H2,1-2H3
InChIKeyKYAIKUZWHSBNDU-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 144705964
1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine
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1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
CID 107308125
1-(2,3-dichlorophenyl)heptan-2-ol
CID 107307492
1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol
CID 82290486
1-(3-chloro-2-fluorophenyl)-4-methylheptan-2-ol
CID 82801942
1-(3-chloro-2-fluorophenyl)-4,6-dimethylheptan-2-ol
CID 114200749
1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol
CID 102623078
4-(2,3-dichlorophenyl)-3-methylbutan-1-amine
CID 83924705
1-(2,3-dichlorophenyl)-2-methylheptan-4-one
CID 83924687
1-(2,3-dichlorophenyl)hexane-2,3-diol
CID 107308307
3-[(2,3-dichlorophenyl)methyl]pentan-2-one
CID 107307026

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-methylhexan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-methylhexan-2-ol (CID 107312463) is 1-(2,3-dichlorophenyl)-4-methylhexan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-methylhexan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-methylhexan-2-ol is CCC(C)CC(O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-methylhexan-2-ol?
The InChIKey is KYAIKUZWHSBNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2O/c1-3-9(2)7-11(16)8-10-5-4-6-12(14)13(10)15/h4-6,9,11,16H,3,7-8H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-4-methylhexan-2-ol?
1-(2,3-dichlorophenyl)-4-methylhexan-2-ol has a molecular weight of 261.19 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-methylhexan-2-ol is sourced from PubChem (CID 107312463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).