6-(2,3-dichlorophenyl)heptane-3,4-diol

C13H18Cl2O2 — CID 83924756

IUPAC6-(2,3-dichlorophenyl)heptane-3,4-diol
SMILESCCC(O)C(O)CC(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2O2/c1-3-11(16)12(17)7-8(2)9-5-4-6-10(14)13(9)15/h4-6,8,11-12,16-17H,3,7H2,1-2H3
InChIKeySGVABFRJYHIDGA-UHFFFAOYSA-N
MW277.19 g/mol
LogP3.62
Rot. Bonds5

About 6-(2,3-dichlorophenyl)heptane-3,4-diol

6-(2,3-dichlorophenyl)heptane-3,4-diol (PubChem CID 83924756) has the molecular formula C13H18Cl2O2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)heptane-3,4-diol.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)heptane-3,4-diol
PubChem CID83924756
Molecular FormulaC13H18Cl2O2
Molecular Weight277.19 g/mol
Exact Mass276.07
IUPAC Name6-(2,3-dichlorophenyl)heptane-3,4-diol
SMILESCCC(O)C(O)CC(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2O2/c1-3-11(16)12(17)7-8(2)9-5-4-6-10(14)13(9)15/h4-6,8,11-12,16-17H,3,7H2,1-2H3
InChIKeySGVABFRJYHIDGA-UHFFFAOYSA-N
XLogP3.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-dichlorophenyl)hexane-2,3-diol
CID 83924753
5-(2-chlorophenyl)hexane-2,3-diol
CID 83924274
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol
CID 83924659
1,2-dichloro-3-pentan-3-ylbenzene
CID 67478357
2-(2-chlorophenyl)pentan-3-ol
CID 79298704
(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride
CID 171162648
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentanoic acid
CID 69269444
4-[2-(2,3-dichlorophenyl)propyl]pyridine
CID 143835492
1-(2,6-dichlorophenyl)pentane-2,3-diol
CID 103454648
(1R,2R)-1-(2,3-dichlorophenyl)propane-1,2-diol;(1S,2S)-1-(2,3-dichlorophenyl)propane-1,2-diol;methane
CID 158468254
5-(2,3-dichlorophenyl)hexan-2-amine
CID 83924701

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)heptane-3,4-diol?
The IUPAC name of 6-(2,3-dichlorophenyl)heptane-3,4-diol (CID 83924756) is 6-(2,3-dichlorophenyl)heptane-3,4-diol.
What is the SMILES notation for 6-(2,3-dichlorophenyl)heptane-3,4-diol?
The canonical SMILES for 6-(2,3-dichlorophenyl)heptane-3,4-diol is CCC(O)C(O)CC(C)c1cccc(Cl)c1Cl.
What is the InChIKey of 6-(2,3-dichlorophenyl)heptane-3,4-diol?
The InChIKey is SGVABFRJYHIDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2O2/c1-3-11(16)12(17)7-8(2)9-5-4-6-10(14)13(9)15/h4-6,8,11-12,16-17H,3,7H2,1-2H3.
What are the key properties of 6-(2,3-dichlorophenyl)heptane-3,4-diol?
6-(2,3-dichlorophenyl)heptane-3,4-diol has a molecular weight of 277.19 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)heptane-3,4-diol is sourced from PubChem (CID 83924756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).