2,3-dichloropropan-1-ol;hydron

C3H7Cl2O+ — CID 174396616

IUPAC2,3-dichloropropan-1-ol;hydron
SMILESOCC(Cl)CCl.[H+]
InChIInChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2/p+1
InChIKeyZXCYIJGIGSDJQQ-UHFFFAOYSA-O
MW129.99 g/mol
LogP0.94
Rot. Bonds2

About 2,3-dichloropropan-1-ol;hydron

2,3-dichloropropan-1-ol;hydron (PubChem CID 174396616) has the molecular formula C3H7Cl2O+ and a molecular weight of 129.99 g/mol. Its IUPAC name is 2,3-dichloropropan-1-ol;hydron.

Molecular Properties

Compound Name2,3-dichloropropan-1-ol;hydron
PubChem CID174396616
Molecular FormulaC3H7Cl2O+
Molecular Weight129.99 g/mol
Exact Mass128.99
IUPAC Name2,3-dichloropropan-1-ol;hydron
SMILESOCC(Cl)CCl.[H+]
InChIInChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2/p+1
InChIKeyZXCYIJGIGSDJQQ-UHFFFAOYSA-O
XLogP0.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.99
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloropropan-1-ol;hydrate
CID 88835584
1,2,3-trichloropropane;hydrate
CID 172556253
2,2-dichloroethanol;(dichloromethane)
CID 173081076
azane;2,2-dichloroethanol;nonakis(dichloromethane)
CID 173068778
9,10-dichlorodecan-1-ol
CID 172717979
2-chloro-4-methylpentan-1-ol
CID 13050114
azane;2,2-dichloroethanol
CID 87173184
(2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane
CID 95858502
(2R,8S)-1,2,8,9-tetrachlorononane
CID 98103574
1-chloropropane-1,1-diol;2-chloropropane-1,3-diol
CID 161482060
5,6-dichlorohexan-2-ol
CID 18921122
alumane;1,2-dichloroethanol
CID 174606739

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloropropan-1-ol;hydron?
The IUPAC name of 2,3-dichloropropan-1-ol;hydron (CID 174396616) is 2,3-dichloropropan-1-ol;hydron.
What is the SMILES notation for 2,3-dichloropropan-1-ol;hydron?
The canonical SMILES for 2,3-dichloropropan-1-ol;hydron is OCC(Cl)CCl.[H+].
What is the InChIKey of 2,3-dichloropropan-1-ol;hydron?
The InChIKey is ZXCYIJGIGSDJQQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2/p+1.
What are the key properties of 2,3-dichloropropan-1-ol;hydron?
2,3-dichloropropan-1-ol;hydron has a molecular weight of 129.99 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloropropan-1-ol;hydron is sourced from PubChem (CID 174396616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).