1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene

C20H25ClO4 — CID 2283038

IUPAC1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene
SMILESCCOc1ccccc1OCCOCCOc1c(C)cc(C)cc1Cl
InChIInChI=1S/C20H25ClO4/c1-4-23-18-7-5-6-8-19(18)24-11-9-22-10-12-25-20-16(3)13-15(2)14-17(20)21/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyZQZAJVSCWBYINP-UHFFFAOYSA-N
MW364.87 g/mol
LogP4.83
Rot. Bonds10

About 1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene

1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene (PubChem CID 2283038) has the molecular formula C20H25ClO4 and a molecular weight of 364.87 g/mol. Its IUPAC name is 1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene
PubChem CID2283038
Molecular FormulaC20H25ClO4
Molecular Weight364.87 g/mol
Exact Mass364.14
IUPAC Name1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene
SMILESCCOc1ccccc1OCCOCCOc1c(C)cc(C)cc1Cl
InChIInChI=1S/C20H25ClO4/c1-4-23-18-7-5-6-8-19(18)24-11-9-22-10-12-25-20-16(3)13-15(2)14-17(20)21/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyZQZAJVSCWBYINP-UHFFFAOYSA-N
XLogP4.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 54.83
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-chloro-4,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 23790866
2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283913
1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene
CID 2283298
[3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20986388
4-(2-chloro-4,6-dimethylphenoxy)butyl-diethylazanium
CID 2262334
3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-ethoxybenzonitrile
CID 20987061
1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene
CID 2284246
2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline
CID 107634679
1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2284223
3-[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-ethoxyphenyl]propanoic acid
CID 20990343
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine
CID 2280426
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 3850725

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene?
The IUPAC name of 1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene (CID 2283038) is 1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene.
What is the SMILES notation for 1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene?
The canonical SMILES for 1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene is CCOc1ccccc1OCCOCCOc1c(C)cc(C)cc1Cl.
What is the InChIKey of 1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene?
The InChIKey is ZQZAJVSCWBYINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClO4/c1-4-23-18-7-5-6-8-19(18)24-11-9-22-10-12-25-20-16(3)13-15(2)14-17(20)21/h5-8,13-14H,4,9-12H2,1-3H3.
What are the key properties of 1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene?
1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene has a molecular weight of 364.87 g/mol, XLogP of 4.83, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene is sourced from PubChem (CID 2283038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).