1,1,1,2,3,3,3-heptachloropropan-2-ol

C3HCl7O — CID 89159156

IUPAC1,1,1,2,3,3,3-heptachloropropan-2-ol
SMILESOC(Cl)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C3HCl7O/c4-1(11,2(5,6)7)3(8,9)10/h11H
InChIKeyUCLVHHYIHILTHM-UHFFFAOYSA-N
MW301.21 g/mol
LogP3.65
Rot. Bonds

About 1,1,1,2,3,3,3-heptachloropropan-2-ol

1,1,1,2,3,3,3-heptachloropropan-2-ol (PubChem CID 89159156) has the molecular formula C3HCl7O and a molecular weight of 301.21 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptachloropropan-2-ol.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptachloropropan-2-ol
PubChem CID89159156
Molecular FormulaC3HCl7O
Molecular Weight301.21 g/mol
Exact Mass297.78
IUPAC Name1,1,1,2,3,3,3-heptachloropropan-2-ol
SMILESOC(Cl)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C3HCl7O/c4-1(11,2(5,6)7)3(8,9)10/h11H
InChIKeyUCLVHHYIHILTHM-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptachloropropan-2-ol?
The IUPAC name of 1,1,1,2,3,3,3-heptachloropropan-2-ol (CID 89159156) is 1,1,1,2,3,3,3-heptachloropropan-2-ol.
What is the SMILES notation for 1,1,1,2,3,3,3-heptachloropropan-2-ol?
The canonical SMILES for 1,1,1,2,3,3,3-heptachloropropan-2-ol is OC(Cl)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1,2,3,3,3-heptachloropropan-2-ol?
The InChIKey is UCLVHHYIHILTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl7O/c4-1(11,2(5,6)7)3(8,9)10/h11H.
What are the key properties of 1,1,1,2,3,3,3-heptachloropropan-2-ol?
1,1,1,2,3,3,3-heptachloropropan-2-ol has a molecular weight of 301.21 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptachloropropan-2-ol is sourced from PubChem (CID 89159156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).