tert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate

C17H23ClO3 — CID 66685725

IUPACtert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate
SMILESCC(C)(C)OC(=O)COCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H23ClO3/c1-16(2,3)21-15(19)11-20-12-17(9-4-10-17)13-5-7-14(18)8-6-13/h5-8H,4,9-12H2,1-3H3
InChIKeyACZAZGHEZCMWFT-UHFFFAOYSA-N
MW310.82 g/mol
LogP4.12
Rot. Bonds5

About tert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate

tert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate (PubChem CID 66685725) has the molecular formula C17H23ClO3 and a molecular weight of 310.82 g/mol. Its IUPAC name is tert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate
PubChem CID66685725
Molecular FormulaC17H23ClO3
Molecular Weight310.82 g/mol
Exact Mass310.13
IUPAC Nametert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate
SMILESCC(C)(C)OC(=O)COCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H23ClO3/c1-16(2,3)21-15(19)11-20-12-17(9-4-10-17)13-5-7-14(18)8-6-13/h5-8H,4,9-12H2,1-3H3
InChIKeyACZAZGHEZCMWFT-UHFFFAOYSA-N
XLogP4.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate?
The IUPAC name of tert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate (CID 66685725) is tert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate.
What is the SMILES notation for tert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate?
The canonical SMILES for tert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate is CC(C)(C)OC(=O)COCC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of tert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate?
The InChIKey is ACZAZGHEZCMWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClO3/c1-16(2,3)21-15(19)11-20-12-17(9-4-10-17)13-5-7-14(18)8-6-13/h5-8H,4,9-12H2,1-3H3.
What are the key properties of tert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate?
tert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate has a molecular weight of 310.82 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate is sourced from PubChem (CID 66685725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).