tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate

C14H17ClO2 — CID 70794725

IUPACtert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CC1c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClO2/c1-14(2,3)17-13(16)12-8-11(12)9-4-6-10(15)7-5-9/h4-7,11-12H,8H2,1-3H3/t11?,12-/m1/s1
InChIKeyQBENFDGKKIKGEQ-PIJUOVFKSA-N
MW252.74 g/mol
LogP3.79
Rot. Bonds2

About tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate

tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 70794725) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID70794725
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Nametert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CC1c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClO2/c1-14(2,3)17-13(16)12-8-11(12)9-4-6-10(15)7-5-9/h4-7,11-12H,8H2,1-3H3/t11?,12-/m1/s1
InChIKeyQBENFDGKKIKGEQ-PIJUOVFKSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate (CID 70794725) is tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate is CC(C)(C)OC(=O)[C@@H]1CC1c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is QBENFDGKKIKGEQ-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-14(2,3)17-13(16)12-8-11(12)9-4-6-10(15)7-5-9/h4-7,11-12H,8H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate?
tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 252.74 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 70794725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).