propan-2-yl 1-bromonaphthalene-2-carboxylate

C14H13BrO2 — CID 12985025

IUPACpropan-2-yl 1-bromonaphthalene-2-carboxylate
SMILESCC(C)OC(=O)c1ccc2ccccc2c1Br
InChIInChI=1S/C14H13BrO2/c1-9(2)17-14(16)12-8-7-10-5-3-4-6-11(10)13(12)15/h3-9H,1-2H3
InChIKeyCVQHRPLXWXSIGO-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.17
Rot. Bonds2

About propan-2-yl 1-bromonaphthalene-2-carboxylate

propan-2-yl 1-bromonaphthalene-2-carboxylate (PubChem CID 12985025) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is propan-2-yl 1-bromonaphthalene-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-bromonaphthalene-2-carboxylate
PubChem CID12985025
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Namepropan-2-yl 1-bromonaphthalene-2-carboxylate
SMILESCC(C)OC(=O)c1ccc2ccccc2c1Br
InChIInChI=1S/C14H13BrO2/c1-9(2)17-14(16)12-8-7-10-5-3-4-6-11(10)13(12)15/h3-9H,1-2H3
InChIKeyCVQHRPLXWXSIGO-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-bromonaphthalene-2-carboxylate?
The IUPAC name of propan-2-yl 1-bromonaphthalene-2-carboxylate (CID 12985025) is propan-2-yl 1-bromonaphthalene-2-carboxylate.
What is the SMILES notation for propan-2-yl 1-bromonaphthalene-2-carboxylate?
The canonical SMILES for propan-2-yl 1-bromonaphthalene-2-carboxylate is CC(C)OC(=O)c1ccc2ccccc2c1Br.
What is the InChIKey of propan-2-yl 1-bromonaphthalene-2-carboxylate?
The InChIKey is CVQHRPLXWXSIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-9(2)17-14(16)12-8-7-10-5-3-4-6-11(10)13(12)15/h3-9H,1-2H3.
What are the key properties of propan-2-yl 1-bromonaphthalene-2-carboxylate?
propan-2-yl 1-bromonaphthalene-2-carboxylate has a molecular weight of 293.16 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-bromonaphthalene-2-carboxylate is sourced from PubChem (CID 12985025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).