2-tert-butyl-1-chloronaphthalene

C14H15Cl — CID 134942940

IUPAC2-tert-butyl-1-chloronaphthalene
SMILESCC(C)(C)c1ccc2ccccc2c1Cl
InChIInChI=1S/C14H15Cl/c1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15/h4-9H,1-3H3
InChIKeyBCEIXHTUGYVBPH-UHFFFAOYSA-N
MW218.73 g/mol
LogP4.79
Rot. Bonds

About 2-tert-butyl-1-chloronaphthalene

2-tert-butyl-1-chloronaphthalene (PubChem CID 134942940) has the molecular formula C14H15Cl and a molecular weight of 218.73 g/mol. Its IUPAC name is 2-tert-butyl-1-chloronaphthalene.

Molecular Properties

Compound Name2-tert-butyl-1-chloronaphthalene
PubChem CID134942940
Molecular FormulaC14H15Cl
Molecular Weight218.73 g/mol
Exact Mass218.09
IUPAC Name2-tert-butyl-1-chloronaphthalene
SMILESCC(C)(C)c1ccc2ccccc2c1Cl
InChIInChI=1S/C14H15Cl/c1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15/h4-9H,1-3H3
InChIKeyBCEIXHTUGYVBPH-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-1-methoxynaphthalene
CID 169287795
9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene
CID 168720021
10-tert-butylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 140946759
5-tert-butylchrysene
CID 140946805
1,7-ditert-butylnaphthalene
CID 59350345
1-chloro-2-propan-2-ylnaphthalene
CID 59606760
1-chloro-2-methylsulfanylnaphthalene
CID 15311205
1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene
CID 176912299
2,3-ditert-butylnaphthalene
CID 14173307
(8-tert-butylnaphthalen-2-yl)phosphane
CID 166789589
2-(1-chloronaphthalen-2-yl)acetaldehyde
CID 54518324
5-tert-butyl-4-chloro-1H-indole
CID 10536327

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-chloronaphthalene?
The IUPAC name of 2-tert-butyl-1-chloronaphthalene (CID 134942940) is 2-tert-butyl-1-chloronaphthalene.
What is the SMILES notation for 2-tert-butyl-1-chloronaphthalene?
The canonical SMILES for 2-tert-butyl-1-chloronaphthalene is CC(C)(C)c1ccc2ccccc2c1Cl.
What is the InChIKey of 2-tert-butyl-1-chloronaphthalene?
The InChIKey is BCEIXHTUGYVBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl/c1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15/h4-9H,1-3H3.
What are the key properties of 2-tert-butyl-1-chloronaphthalene?
2-tert-butyl-1-chloronaphthalene has a molecular weight of 218.73 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-chloronaphthalene is sourced from PubChem (CID 134942940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).