tert-butyl 4-bromonaphthalene-1-carboxylate

C15H15BrO2 — CID 26967602

IUPACtert-butyl 4-bromonaphthalene-1-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H15BrO2/c1-15(2,3)18-14(17)12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKeyJCSZXGTXRLOCHN-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.56
Rot. Bonds1

About tert-butyl 4-bromonaphthalene-1-carboxylate

tert-butyl 4-bromonaphthalene-1-carboxylate (PubChem CID 26967602) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is tert-butyl 4-bromonaphthalene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-bromonaphthalene-1-carboxylate
PubChem CID26967602
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Nametert-butyl 4-bromonaphthalene-1-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H15BrO2/c1-15(2,3)18-14(17)12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKeyJCSZXGTXRLOCHN-UHFFFAOYSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-bromonaphthalene-1-carboxylate?
The IUPAC name of tert-butyl 4-bromonaphthalene-1-carboxylate (CID 26967602) is tert-butyl 4-bromonaphthalene-1-carboxylate.
What is the SMILES notation for tert-butyl 4-bromonaphthalene-1-carboxylate?
The canonical SMILES for tert-butyl 4-bromonaphthalene-1-carboxylate is CC(C)(C)OC(=O)c1ccc(Br)c2ccccc12.
What is the InChIKey of tert-butyl 4-bromonaphthalene-1-carboxylate?
The InChIKey is JCSZXGTXRLOCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-15(2,3)18-14(17)12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9H,1-3H3.
What are the key properties of tert-butyl 4-bromonaphthalene-1-carboxylate?
tert-butyl 4-bromonaphthalene-1-carboxylate has a molecular weight of 307.19 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-bromonaphthalene-1-carboxylate is sourced from PubChem (CID 26967602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).