1-(2,3-dichlorophenyl)-5-methylhexan-3-ol

C13H18Cl2O — CID 107309467

IUPAC1-(2,3-dichlorophenyl)-5-methylhexan-3-ol
SMILESCC(C)CC(O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2O/c1-9(2)8-11(16)7-6-10-4-3-5-12(14)13(10)15/h3-5,9,11,16H,6-8H2,1-2H3
InChIKeyKZCHCFSEPIICRI-UHFFFAOYSA-N
MW261.19 g/mol
LogP4.33
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-5-methylhexan-3-ol

1-(2,3-dichlorophenyl)-5-methylhexan-3-ol (PubChem CID 107309467) has the molecular formula C13H18Cl2O and a molecular weight of 261.19 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-5-methylhexan-3-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-5-methylhexan-3-ol
PubChem CID107309467
Molecular FormulaC13H18Cl2O
Molecular Weight261.19 g/mol
Exact Mass260.07
IUPAC Name1-(2,3-dichlorophenyl)-5-methylhexan-3-ol
SMILESCC(C)CC(O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2O/c1-9(2)8-11(16)7-6-10-4-3-5-12(14)13(10)15/h3-5,9,11,16H,6-8H2,1-2H3
InChIKeyKZCHCFSEPIICRI-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

4-(2,3-dichlorophenyl)-N-methylbutan-2-amine
CID 64503767
1-(2,3-dichlorophenyl)hexan-3-amine
CID 64504833
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-(2,3-dichlorophenyl)-4-methylhexan-2-ol
CID 107312463
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609
1-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 107312517
2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 107309635
4-(2,3-dichlorophenyl)-3-methylbutan-1-amine
CID 83924705
1-(2,3-dichlorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 107308075
1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
CID 107308125
1-(2-chloro-3-fluorophenyl)hexan-3-ol
CID 112654007

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-5-methylhexan-3-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-5-methylhexan-3-ol (CID 107309467) is 1-(2,3-dichlorophenyl)-5-methylhexan-3-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-5-methylhexan-3-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-5-methylhexan-3-ol is CC(C)CC(O)CCc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-5-methylhexan-3-ol?
The InChIKey is KZCHCFSEPIICRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2O/c1-9(2)8-11(16)7-6-10-4-3-5-12(14)13(10)15/h3-5,9,11,16H,6-8H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-5-methylhexan-3-ol?
1-(2,3-dichlorophenyl)-5-methylhexan-3-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)-5-methylhexan-3-ol is sourced from PubChem (CID 107309467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).