1-(2,3-dichlorophenyl)hexane-2,3-diol

C12H16Cl2O2 — CID 107308307

IUPAC1-(2,3-dichlorophenyl)hexane-2,3-diol
SMILESCCCC(O)C(O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2O2/c1-2-4-10(15)11(16)7-8-5-3-6-9(13)12(8)14/h3,5-6,10-11,15-16H,2,4,7H2,1H3
InChIKeyBBDQVQPAUQNCNC-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.06
Rot. Bonds5

About 1-(2,3-dichlorophenyl)hexane-2,3-diol

1-(2,3-dichlorophenyl)hexane-2,3-diol (PubChem CID 107308307) has the molecular formula C12H16Cl2O2 and a molecular weight of 263.16 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)hexane-2,3-diol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)hexane-2,3-diol
PubChem CID107308307
Molecular FormulaC12H16Cl2O2
Molecular Weight263.16 g/mol
Exact Mass262.05
IUPAC Name1-(2,3-dichlorophenyl)hexane-2,3-diol
SMILESCCCC(O)C(O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2O2/c1-2-4-10(15)11(16)7-8-5-3-6-9(13)12(8)14/h3,5-6,10-11,15-16H,2,4,7H2,1H3
InChIKeyBBDQVQPAUQNCNC-UHFFFAOYSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
1-(2,3-dichlorophenyl)heptan-2-ol
CID 107307492
1-(2,3-dichlorophenyl)-3-hydroxyhexan-2-one
CID 107308073
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol
CID 107308264
1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
CID 107308125
1-(2,3-dichlorophenyl)-4-methylhexan-2-ol
CID 107312463
2-(2,3-dichlorophenyl)-1-(2-ethylphenyl)ethanol
CID 107307475
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
3-[(2,3-dichlorophenyl)methyl]pentan-2-one
CID 107307026
1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol
CID 82290486
1-(2,3-dichlorophenyl)hexan-3-amine
CID 64504833

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)hexane-2,3-diol?
The IUPAC name of 1-(2,3-dichlorophenyl)hexane-2,3-diol (CID 107308307) is 1-(2,3-dichlorophenyl)hexane-2,3-diol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)hexane-2,3-diol?
The canonical SMILES for 1-(2,3-dichlorophenyl)hexane-2,3-diol is CCCC(O)C(O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)hexane-2,3-diol?
The InChIKey is BBDQVQPAUQNCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O2/c1-2-4-10(15)11(16)7-8-5-3-6-9(13)12(8)14/h3,5-6,10-11,15-16H,2,4,7H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)hexane-2,3-diol?
1-(2,3-dichlorophenyl)hexane-2,3-diol has a molecular weight of 263.16 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)hexane-2,3-diol is sourced from PubChem (CID 107308307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).