2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane

C19H21ClO4 — CID 10760189

IUPAC2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane
SMILESClc1cc(Oc2ccccc2)ccc1OCCOC1CCCCO1
InChIInChI=1S/C19H21ClO4/c20-17-14-16(24-15-6-2-1-3-7-15)9-10-18(17)21-12-13-23-19-8-4-5-11-22-19/h1-3,6-7,9-10,14,19H,4-5,8,11-13H2
InChIKeyBWWHYXXNJUWOKN-UHFFFAOYSA-N
MW348.83 g/mol
LogP5.05
Rot. Bonds7

About 2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane

2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane (PubChem CID 10760189) has the molecular formula C19H21ClO4 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane.

Molecular Properties

Compound Name2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane
PubChem CID10760189
Molecular FormulaC19H21ClO4
Molecular Weight348.83 g/mol
Exact Mass348.11
IUPAC Name2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane
SMILESClc1cc(Oc2ccccc2)ccc1OCCOC1CCCCO1
InChIInChI=1S/C19H21ClO4/c20-17-14-16(24-15-6-2-1-3-7-15)9-10-18(17)21-12-13-23-19-8-4-5-11-22-19/h1-3,6-7,9-10,14,19H,4-5,8,11-13H2
InChIKeyBWWHYXXNJUWOKN-UHFFFAOYSA-N
XLogP5.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenoxyethoxy)oxane
CID 11736193
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid
CID 146457189
3-amino-4-(2-chloro-5-methoxyphenoxy)-5-[2-(oxan-2-yloxy)ethoxy]benzoic acid
CID 67553942
[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
CID 165391674
2-[2-chloro-3-fluoro-6-(methylaminomethyl)-5-phenoxyphenyl]-3-fluoro-4-[2-(oxan-2-yloxy)ethoxy]benzaldehyde;N-methylmethanamine
CID 156855694
2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone
CID 71216693
(2S)-2-[3-(2-methoxyphenoxy)propoxy]oxane
CID 100761288
2-[4-(3-bromophenoxy)butoxy]oxane
CID 59476029
2-[2-(4-bromo-3-methylphenoxy)ethoxy]oxane
CID 67314274

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane?
The IUPAC name of 2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane (CID 10760189) is 2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane.
What is the SMILES notation for 2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane?
The canonical SMILES for 2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane is Clc1cc(Oc2ccccc2)ccc1OCCOC1CCCCO1.
What is the InChIKey of 2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane?
The InChIKey is BWWHYXXNJUWOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO4/c20-17-14-16(24-15-6-2-1-3-7-15)9-10-18(17)21-12-13-23-19-8-4-5-11-22-19/h1-3,6-7,9-10,14,19H,4-5,8,11-13H2.
What are the key properties of 2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane?
2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane has a molecular weight of 348.83 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane is sourced from PubChem (CID 10760189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).