1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene

C14H21ClO2 — CID 63665426

IUPAC1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene
SMILESCC(C)(C)c1ccc(OCCOCCCl)cc1
InChIInChI=1S/C14H21ClO2/c1-14(2,3)12-4-6-13(7-5-12)17-11-10-16-9-8-15/h4-7H,8-11H2,1-3H3
InChIKeyXMLRCXMINSKJTO-UHFFFAOYSA-N
MW256.77 g/mol
LogP3.62
Rot. Bonds6

About 1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene

1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene (PubChem CID 63665426) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene
PubChem CID63665426
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene
SMILESCC(C)(C)c1ccc(OCCOCCCl)cc1
InChIInChI=1S/C14H21ClO2/c1-14(2,3)12-4-6-13(7-5-12)17-11-10-16-9-8-15/h4-7H,8-11H2,1-3H3
InChIKeyXMLRCXMINSKJTO-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene
CID 63665656
4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene
CID 63664014
2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene
CID 10554662
1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2270536
1-tert-butyl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 64765867
4-[2-(2-chloroethoxy)ethoxy]benzamide
CID 63664208
2-[2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 15607829
4-tert-butyl-N-[4-[4-(3-chloropropoxy)phenoxy]phenyl]aniline
CID 158081209
1,3,5-tris[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]benzene
CID 139243319
trimethyl-[2-[2-[2-[4-[2-[4-[2-[2-(2-trimethylsilyloxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]silane
CID 6421145
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene?
The IUPAC name of 1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene (CID 63665426) is 1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene.
What is the SMILES notation for 1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene?
The canonical SMILES for 1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene is CC(C)(C)c1ccc(OCCOCCCl)cc1.
What is the InChIKey of 1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene?
The InChIKey is XMLRCXMINSKJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c1-14(2,3)12-4-6-13(7-5-12)17-11-10-16-9-8-15/h4-7H,8-11H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene?
1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene has a molecular weight of 256.77 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene is sourced from PubChem (CID 63665426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).