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

C14H21ClO3 — CID 70975521

IUPAC2-[2-(3-butyl-2-chlorophenoxy)ethoxy]ethanol
SMILESCCCCc1cccc(OCCOCCO)c1Cl
InChIInChI=1S/C14H21ClO3/c1-2-3-5-12-6-4-7-13(14(12)15)18-11-10-17-9-8-16/h4,6-7,16H,2-3,5,8-11H2,1H3
InChIKeyKYCPUFPGVOGLHE-UHFFFAOYSA-N
MW272.77 g/mol
LogP3.07
Rot. Bonds9

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

2-[2-(3-butyl-2-chlorophenoxy)ethoxy]ethanol (PubChem CID 70975521) has the molecular formula C14H21ClO3 and a molecular weight of 272.77 g/mol. Its IUPAC name is 2-[2-(3-butyl-2-chlorophenoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-butyl-2-chlorophenoxy)ethoxy]ethanol
PubChem CID70975521
Molecular FormulaC14H21ClO3
Molecular Weight272.77 g/mol
Exact Mass272.12
IUPAC Name2-[2-(3-butyl-2-chlorophenoxy)ethoxy]ethanol
SMILESCCCCc1cccc(OCCOCCO)c1Cl
InChIInChI=1S/C14H21ClO3/c1-2-3-5-12-6-4-7-13(14(12)15)18-11-10-17-9-8-16/h4,6-7,16H,2-3,5,8-11H2,1H3
InChIKeyKYCPUFPGVOGLHE-UHFFFAOYSA-N
XLogP3.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.77
LogP ≤ 53.07
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

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2-[2-[2-[2-(2,3,4-tributylphenoxy)ethoxy]ethoxy]ethoxy]ethanol
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CID 90397788
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[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-nonylphenol
CID 157250181
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-nonylphenol
CID 158816755
1,2-bis[2-(2-chloroethoxy)ethoxy]-3-pentadecylbenzene
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CID 144738763

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-butyl-2-chlorophenoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(3-butyl-2-chlorophenoxy)ethoxy]ethanol (CID 70975521) is 2-[2-(3-butyl-2-chlorophenoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-butyl-2-chlorophenoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3-butyl-2-chlorophenoxy)ethoxy]ethanol is CCCCc1cccc(OCCOCCO)c1Cl.
What is the InChIKey of 2-[2-(3-butyl-2-chlorophenoxy)ethoxy]ethanol?
The InChIKey is KYCPUFPGVOGLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO3/c1-2-3-5-12-6-4-7-13(14(12)15)18-11-10-17-9-8-16/h4,6-7,16H,2-3,5,8-11H2,1H3.
What are the key properties of 2-[2-(3-butyl-2-chlorophenoxy)ethoxy]ethanol?
2-[2-(3-butyl-2-chlorophenoxy)ethoxy]ethanol has a molecular weight of 272.77 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-butyl-2-chlorophenoxy)ethoxy]ethanol is sourced from PubChem (CID 70975521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).