3-(2-butoxyethoxy)-1-chloropropan-1-ol

C9H19ClO3 — CID 175308716

IUPAC3-(2-butoxyethoxy)-1-chloropropan-1-ol
SMILESCCCCOCCOCCC(O)Cl
InChIInChI=1S/C9H19ClO3/c1-2-3-5-12-7-8-13-6-4-9(10)11/h9,11H,2-8H2,1H3
InChIKeyKMJZBHCYNJGZBH-UHFFFAOYSA-N
MW210.70 g/mol
LogP1.77
Rot. Bonds9

About 3-(2-butoxyethoxy)-1-chloropropan-1-ol

3-(2-butoxyethoxy)-1-chloropropan-1-ol (PubChem CID 175308716) has the molecular formula C9H19ClO3 and a molecular weight of 210.70 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-1-chloropropan-1-ol.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-1-chloropropan-1-ol
PubChem CID175308716
Molecular FormulaC9H19ClO3
Molecular Weight210.70 g/mol
Exact Mass210.10
IUPAC Name3-(2-butoxyethoxy)-1-chloropropan-1-ol
SMILESCCCCOCCOCCC(O)Cl
InChIInChI=1S/C9H19ClO3/c1-2-3-5-12-7-8-13-6-4-9(10)11/h9,11H,2-8H2,1H3
InChIKeyKMJZBHCYNJGZBH-UHFFFAOYSA-N
XLogP1.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-butoxyethoxy)-1-chloropropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
1-amino-3-butoxypropan-1-ol
CID 57047625
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol
CID 106802733
4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-(chloromethyl)butane
CID 113427643
1-butoxybutane;propane-1,1-diol
CID 87222669
butane-2,3-diol;1-butoxybutane
CID 87169993
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane
CID 104568686
ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 104563527
1,19-dibutoxynonadecan-10-ol
CID 129293593
(2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol
CID 40610659

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)-1-chloropropan-1-ol?
The IUPAC name of 3-(2-butoxyethoxy)-1-chloropropan-1-ol (CID 175308716) is 3-(2-butoxyethoxy)-1-chloropropan-1-ol.
What is the SMILES notation for 3-(2-butoxyethoxy)-1-chloropropan-1-ol?
The canonical SMILES for 3-(2-butoxyethoxy)-1-chloropropan-1-ol is CCCCOCCOCCC(O)Cl.
What is the InChIKey of 3-(2-butoxyethoxy)-1-chloropropan-1-ol?
The InChIKey is KMJZBHCYNJGZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClO3/c1-2-3-5-12-7-8-13-6-4-9(10)11/h9,11H,2-8H2,1H3.
What are the key properties of 3-(2-butoxyethoxy)-1-chloropropan-1-ol?
3-(2-butoxyethoxy)-1-chloropropan-1-ol has a molecular weight of 210.70 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-1-chloropropan-1-ol is sourced from PubChem (CID 175308716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).