1-(2-chloroethoxy)propane;propan-1-ol

C8H19ClO2 — CID 174902787

IUPAC1-(2-chloroethoxy)propane;propan-1-ol
SMILESCCCO.CCCOCCCl
InChIInChI=1S/C5H11ClO.C3H8O/c1-2-4-7-5-3-6;1-2-3-4/h2-5H2,1H3;4H,2-3H2,1H3
InChIKeyUUKWCMOMUYXORL-UHFFFAOYSA-N
MW182.69 g/mol
LogP2.04
Rot. Bonds5

About 1-(2-chloroethoxy)propane;propan-1-ol

1-(2-chloroethoxy)propane;propan-1-ol (PubChem CID 174902787) has the molecular formula C8H19ClO2 and a molecular weight of 182.69 g/mol. Its IUPAC name is 1-(2-chloroethoxy)propane;propan-1-ol.

Molecular Properties

Compound Name1-(2-chloroethoxy)propane;propan-1-ol
PubChem CID174902787
Molecular FormulaC8H19ClO2
Molecular Weight182.69 g/mol
Exact Mass182.11
IUPAC Name1-(2-chloroethoxy)propane;propan-1-ol
SMILESCCCO.CCCOCCCl
InChIInChI=1S/C5H11ClO.C3H8O/c1-2-4-7-5-3-6;1-2-3-4/h2-5H2,1H3;4H,2-3H2,1H3
InChIKeyUUKWCMOMUYXORL-UHFFFAOYSA-N
XLogP2.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.69
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
ethane-1,2-diol;methane;1-propoxypropane
CID 19065615
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
calcium;hydride;2-propoxyethanol
CID 174734380
3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
CID 4249185
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765
1-chloro-2-(2-chloroethoxy)ethane;dichloromethane
CID 174956973
1-(2-chloroethoxy)octane
CID 20788542
acetic acid;ethane-1,2-diol;1-propoxypropane
CID 87173369
ethane-1,2-diol;formic acid;1-propoxypropane
CID 87831538
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethoxy)propane;propan-1-ol?
The IUPAC name of 1-(2-chloroethoxy)propane;propan-1-ol (CID 174902787) is 1-(2-chloroethoxy)propane;propan-1-ol.
What is the SMILES notation for 1-(2-chloroethoxy)propane;propan-1-ol?
The canonical SMILES for 1-(2-chloroethoxy)propane;propan-1-ol is CCCO.CCCOCCCl.
What is the InChIKey of 1-(2-chloroethoxy)propane;propan-1-ol?
The InChIKey is UUKWCMOMUYXORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO.C3H8O/c1-2-4-7-5-3-6;1-2-3-4/h2-5H2,1H3;4H,2-3H2,1H3.
What are the key properties of 1-(2-chloroethoxy)propane;propan-1-ol?
1-(2-chloroethoxy)propane;propan-1-ol has a molecular weight of 182.69 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethoxy)propane;propan-1-ol is sourced from PubChem (CID 174902787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).