2-[2-(3-chlorophenoxy)ethoxy]ethanol

C10H13ClO3 — CID 10443322

IUPAC2-[2-(3-chlorophenoxy)ethoxy]ethanol
SMILESOCCOCCOc1cccc(Cl)c1
InChIInChI=1S/C10H13ClO3/c11-9-2-1-3-10(8-9)14-7-6-13-5-4-12/h1-3,8,12H,4-7H2
InChIKeyBHHWABHPKKGWSW-UHFFFAOYSA-N
MW216.66 g/mol
LogP1.73
Rot. Bonds6

About 2-[2-(3-chlorophenoxy)ethoxy]ethanol

2-[2-(3-chlorophenoxy)ethoxy]ethanol (PubChem CID 10443322) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)ethoxy]ethanol
PubChem CID10443322
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name2-[2-(3-chlorophenoxy)ethoxy]ethanol
SMILESOCCOCCOc1cccc(Cl)c1
InChIInChI=1S/C10H13ClO3/c11-9-2-1-3-10(8-9)14-7-6-13-5-4-12/h1-3,8,12H,4-7H2
InChIKeyBHHWABHPKKGWSW-UHFFFAOYSA-N
XLogP1.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 11102919
CID 11102919
2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693
CID 10952974
CID 10952974
2-(2-phenoxyethoxy)ethanol
CID 7715
2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol
CID 43416970
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280848
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine
CID 2245896
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol
CID 63367420
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(3-chlorophenoxy)ethoxy]ethanol (CID 10443322) is 2-[2-(3-chlorophenoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3-chlorophenoxy)ethoxy]ethanol is OCCOCCOc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenoxy)ethoxy]ethanol?
The InChIKey is BHHWABHPKKGWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3/c11-9-2-1-3-10(8-9)14-7-6-13-5-4-12/h1-3,8,12H,4-7H2.
What are the key properties of 2-[2-(3-chlorophenoxy)ethoxy]ethanol?
2-[2-(3-chlorophenoxy)ethoxy]ethanol has a molecular weight of 216.66 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)ethoxy]ethanol is sourced from PubChem (CID 10443322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).