1,3-dichloropropan-2-ol

C3H6Cl2O — CID 7289

IUPAC1,3-dichloropropan-2-ol
SMILESOC(CCl)CCl
InChIInChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKeyDEWLEGDTCGBNGU-UHFFFAOYSA-N
MW128.99 g/mol
LogP0.82
Rot. Bonds2

About 1,3-dichloropropan-2-ol

1,3-dichloropropan-2-ol (PubChem CID 7289) has the molecular formula C3H6Cl2O and a molecular weight of 128.99 g/mol. Its IUPAC name is 1,3-dichloropropan-2-ol.

Molecular Properties

Compound Name1,3-dichloropropan-2-ol
PubChem CID7289
Molecular FormulaC3H6Cl2O
Molecular Weight128.99 g/mol
Exact Mass127.98
IUPAC Name1,3-dichloropropan-2-ol
SMILESOC(CCl)CCl
InChIInChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKeyDEWLEGDTCGBNGU-UHFFFAOYSA-N
XLogP0.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.99
LogP ≤ 50.82
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

1-Chloro-2-propanol
CID 31370
1-Chloro-3-fluoro-2-propanol
CID 92107
(R)-1-Chloro-2-propanol
CID 6999046
1,4-Dichloro-2-butanol
CID 17021
2-Propanol, 1-chloro-, (2S)-
CID 641044
1,3-Dichloro(~2~H_5_)propan-2-ol
CID 57369126
2-Chlorocyclopropan-1-ol
CID 13351704
1-Chloro-3-iodopropan-2-ol
CID 10922054
rac-(1R,2S)-2-chlorocyclopropan-1-ol
CID 129811728
CID 155528753
CID 155528753
CID 155557300
CID 155557300
2-Propanol, 1,1,3,3-tetrachloro-
CID 519619

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloropropan-2-ol?
The IUPAC name of 1,3-dichloropropan-2-ol (CID 7289) is 1,3-dichloropropan-2-ol.
What is the SMILES notation for 1,3-dichloropropan-2-ol?
The canonical SMILES for 1,3-dichloropropan-2-ol is OC(CCl)CCl.
What is the InChIKey of 1,3-dichloropropan-2-ol?
The InChIKey is DEWLEGDTCGBNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2.
What are the key properties of 1,3-dichloropropan-2-ol?
1,3-dichloropropan-2-ol has a molecular weight of 128.99 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloropropan-2-ol is sourced from PubChem (CID 7289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).