tert-butyl 3-chloronaphthalene-2-carboxylate

C15H15ClO2 — CID 133063668

IUPACtert-butyl 3-chloronaphthalene-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cc2ccccc2cc1Cl
InChIInChI=1S/C15H15ClO2/c1-15(2,3)18-14(17)12-8-10-6-4-5-7-11(10)9-13(12)16/h4-9H,1-3H3
InChIKeyRAHHVHXUJUIONY-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.45
Rot. Bonds1

About tert-butyl 3-chloronaphthalene-2-carboxylate

tert-butyl 3-chloronaphthalene-2-carboxylate (PubChem CID 133063668) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is tert-butyl 3-chloronaphthalene-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-chloronaphthalene-2-carboxylate
PubChem CID133063668
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Nametert-butyl 3-chloronaphthalene-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cc2ccccc2cc1Cl
InChIInChI=1S/C15H15ClO2/c1-15(2,3)18-14(17)12-8-10-6-4-5-7-11(10)9-13(12)16/h4-9H,1-3H3
InChIKeyRAHHVHXUJUIONY-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-fluoronaphthalene-2-carboxylate
CID 133061227
ethyl 3-chloronaphthalene-2-carboxylate
CID 90487598
tert-butyl cyclohepta[f]indene-5-carboxylate
CID 154457537
1-(3-chloronaphthalen-2-yl)ethanone
CID 131563737
tert-butyl 3-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-1-yl]naphthalene-2-carboxylate
CID 100966328
ditert-butyl 2-chloro-5-formylbenzene-1,4-dicarboxylate
CID 156759780
tert-butyl 3-chloro-2-ethynylbenzoate
CID 87311556
3-chloronaphthalene-2-carboxylic acid;hydrochloride
CID 69376423
3-chloro-N-methylnaphthalene-2-carboxamide
CID 133063253
tert-butyl 3-chloro-2-iodobenzoate
CID 135393983
CID 71111006
CID 71111006
tert-butyl 2-hydroxybenzoate;cobalt
CID 70348779

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-chloronaphthalene-2-carboxylate?
The IUPAC name of tert-butyl 3-chloronaphthalene-2-carboxylate (CID 133063668) is tert-butyl 3-chloronaphthalene-2-carboxylate.
What is the SMILES notation for tert-butyl 3-chloronaphthalene-2-carboxylate?
The canonical SMILES for tert-butyl 3-chloronaphthalene-2-carboxylate is CC(C)(C)OC(=O)c1cc2ccccc2cc1Cl.
What is the InChIKey of tert-butyl 3-chloronaphthalene-2-carboxylate?
The InChIKey is RAHHVHXUJUIONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c1-15(2,3)18-14(17)12-8-10-6-4-5-7-11(10)9-13(12)16/h4-9H,1-3H3.
What are the key properties of tert-butyl 3-chloronaphthalene-2-carboxylate?
tert-butyl 3-chloronaphthalene-2-carboxylate has a molecular weight of 262.74 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-chloronaphthalene-2-carboxylate is sourced from PubChem (CID 133063668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).