4-(3,5-dichlorophenyl)hexane-1,2-diol

C12H16Cl2O2 — CID 83924877

IUPAC4-(3,5-dichlorophenyl)hexane-1,2-diol
SMILESCCC(CC(O)CO)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2O2/c1-2-8(5-12(16)7-15)9-3-10(13)6-11(14)4-9/h3-4,6,8,12,15-16H,2,5,7H2,1H3
InChIKeyCTKKMZKEZVYKBF-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.23
Rot. Bonds5

About 4-(3,5-dichlorophenyl)hexane-1,2-diol

4-(3,5-dichlorophenyl)hexane-1,2-diol (PubChem CID 83924877) has the molecular formula C12H16Cl2O2 and a molecular weight of 263.16 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)hexane-1,2-diol.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)hexane-1,2-diol
PubChem CID83924877
Molecular FormulaC12H16Cl2O2
Molecular Weight263.16 g/mol
Exact Mass262.05
IUPAC Name4-(3,5-dichlorophenyl)hexane-1,2-diol
SMILESCCC(CC(O)CO)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2O2/c1-2-8(5-12(16)7-15)9-3-10(13)6-11(14)4-9/h3-4,6,8,12,15-16H,2,5,7H2,1H3
InChIKeyCTKKMZKEZVYKBF-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-(3,5-dichlorophenyl)hexan-2-ol
CID 83924872
4-(3,5-dimethylphenyl)hexane-1,2-diol
CID 83922430
4-(3,4-dimethylphenyl)hexane-1,2-diol
CID 83927968
4-(2-chloro-4,5-dimethylphenyl)hexane-1,2-diol
CID 83931558
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol
CID 83938916
4-(3,4-diethoxyphenyl)hexane-1,2-diol
CID 83923632
4-(2,3,6-trichlorophenyl)hexane-1,2-diol
CID 83925200
4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexane-1,2-diol
CID 83922318
4-(5-chloro-2,3,4-trimethoxyphenyl)hexane-1,2-diol
CID 83925663
1-(3-chloro-5-methylphenyl)propan-1-ol
CID 115787792
1-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol
CID 83928692
4-(3-propylsulfonylphenyl)hexane-1,2-diol
CID 83926774

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)hexane-1,2-diol?
The IUPAC name of 4-(3,5-dichlorophenyl)hexane-1,2-diol (CID 83924877) is 4-(3,5-dichlorophenyl)hexane-1,2-diol.
What is the SMILES notation for 4-(3,5-dichlorophenyl)hexane-1,2-diol?
The canonical SMILES for 4-(3,5-dichlorophenyl)hexane-1,2-diol is CCC(CC(O)CO)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichlorophenyl)hexane-1,2-diol?
The InChIKey is CTKKMZKEZVYKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O2/c1-2-8(5-12(16)7-15)9-3-10(13)6-11(14)4-9/h3-4,6,8,12,15-16H,2,5,7H2,1H3.
What are the key properties of 4-(3,5-dichlorophenyl)hexane-1,2-diol?
4-(3,5-dichlorophenyl)hexane-1,2-diol has a molecular weight of 263.16 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)hexane-1,2-diol is sourced from PubChem (CID 83924877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).