2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene

C13H19ClO2 — CID 146377328

IUPAC2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene
SMILESCOCCOc1cccc(Cl)c1C(C)(C)C
InChIInChI=1S/C13H19ClO2/c1-13(2,3)12-10(14)6-5-7-11(12)16-9-8-15-4/h5-7H,8-9H2,1-4H3
InChIKeyGTACXFGCRSSXAL-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.66
Rot. Bonds4

About 2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene

2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene (PubChem CID 146377328) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene
PubChem CID146377328
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene
SMILESCOCCOc1cccc(Cl)c1C(C)(C)C
InChIInChI=1S/C13H19ClO2/c1-13(2,3)12-10(14)6-5-7-11(12)16-9-8-15-4/h5-7H,8-9H2,1-4H3
InChIKeyGTACXFGCRSSXAL-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene
CID 146376700
2-bromo-1-chloro-3-(2-methoxyethoxy)benzene
CID 156587191
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene
CID 114320831
1-chloro-2-(4-methoxybutoxy)benzene
CID 59339544
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39399682
1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104567723
(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107101821
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
2-tert-butyl-1-(4-tert-butylphenyl)peroxy-3-chlorobenzene
CID 139439809
2-tert-butyl-3-chloroaniline
CID 68787063

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene?
The IUPAC name of 2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene (CID 146377328) is 2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene.
What is the SMILES notation for 2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene?
The canonical SMILES for 2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene is COCCOc1cccc(Cl)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene?
The InChIKey is GTACXFGCRSSXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-13(2,3)12-10(14)6-5-7-11(12)16-9-8-15-4/h5-7H,8-9H2,1-4H3.
What are the key properties of 2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene?
2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene has a molecular weight of 242.75 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene is sourced from PubChem (CID 146377328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).