1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol

C6H12Cl2O3 — CID 174758586

IUPAC1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol
SMILESOC(Cl)CCOCC(O)CCl
InChIInChI=1S/C6H12Cl2O3/c7-3-5(9)4-11-2-1-6(8)10/h5-6,9-10H,1-4H2
InChIKeyUBDYEJCNEPVLOF-UHFFFAOYSA-N
MW203.06 g/mol
LogP0.55
Rot. Bonds6

About 1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol

1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol (PubChem CID 174758586) has the molecular formula C6H12Cl2O3 and a molecular weight of 203.06 g/mol. Its IUPAC name is 1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol.

Molecular Properties

Compound Name1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol
PubChem CID174758586
Molecular FormulaC6H12Cl2O3
Molecular Weight203.06 g/mol
Exact Mass202.02
IUPAC Name1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol
SMILESOC(Cl)CCOCC(O)CCl
InChIInChI=1S/C6H12Cl2O3/c7-3-5(9)4-11-2-1-6(8)10/h5-6,9-10H,1-4H2
InChIKeyUBDYEJCNEPVLOF-UHFFFAOYSA-N
XLogP0.55
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.06
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-[(3S)-4-chloro-3-hydroxybutoxy]butane-1,3-diol
CID 163197474
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090
(2S)-1-butoxy-3-chloropropan-2-ol
CID 36688277
1-chloro-3-(8-methylnonoxy)propan-2-ol
CID 141326416
(2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol
CID 40610659
1-chloro-3-(3-methoxy-3-methylbutoxy)propan-2-ol
CID 106665499
3-(2-butoxyethoxy)-1-chloropropan-1-ol
CID 175308716
(2S)-1-aminooxy-3-chloropropan-2-ol
CID 129235257
4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204
1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol
CID 175056400
1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol
CID 139948642
4-(3-chloro-2-hydroxypropoxy)butyl prop-2-enoate
CID 87737333

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol?
The IUPAC name of 1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol (CID 174758586) is 1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol.
What is the SMILES notation for 1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol?
The canonical SMILES for 1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol is OC(Cl)CCOCC(O)CCl.
What is the InChIKey of 1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol?
The InChIKey is UBDYEJCNEPVLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2O3/c7-3-5(9)4-11-2-1-6(8)10/h5-6,9-10H,1-4H2.
What are the key properties of 1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol?
1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol has a molecular weight of 203.06 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol is sourced from PubChem (CID 174758586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).