2-(5-chloro-2-propan-2-ylphenyl)naphthalene

C19H17Cl — CID 142314685

IUPAC2-(5-chloro-2-propan-2-ylphenyl)naphthalene
SMILESCC(C)c1ccc(Cl)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C19H17Cl/c1-13(2)18-10-9-17(20)12-19(18)16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,1-2H3
InChIKeyLIFGZVPYCWXPAV-UHFFFAOYSA-N
MW280.80 g/mol
LogP6.28
Rot. Bonds2

About 2-(5-chloro-2-propan-2-ylphenyl)naphthalene

2-(5-chloro-2-propan-2-ylphenyl)naphthalene (PubChem CID 142314685) has the molecular formula C19H17Cl and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-(5-chloro-2-propan-2-ylphenyl)naphthalene.

Molecular Properties

Compound Name2-(5-chloro-2-propan-2-ylphenyl)naphthalene
PubChem CID142314685
Molecular FormulaC19H17Cl
Molecular Weight280.80 g/mol
Exact Mass280.10
IUPAC Name2-(5-chloro-2-propan-2-ylphenyl)naphthalene
SMILESCC(C)c1ccc(Cl)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C19H17Cl/c1-13(2)18-10-9-17(20)12-19(18)16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,1-2H3
InChIKeyLIFGZVPYCWXPAV-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.80
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-propan-2-ylphenyl)naphthalene?
The IUPAC name of 2-(5-chloro-2-propan-2-ylphenyl)naphthalene (CID 142314685) is 2-(5-chloro-2-propan-2-ylphenyl)naphthalene.
What is the SMILES notation for 2-(5-chloro-2-propan-2-ylphenyl)naphthalene?
The canonical SMILES for 2-(5-chloro-2-propan-2-ylphenyl)naphthalene is CC(C)c1ccc(Cl)cc1-c1ccc2ccccc2c1.
What is the InChIKey of 2-(5-chloro-2-propan-2-ylphenyl)naphthalene?
The InChIKey is LIFGZVPYCWXPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl/c1-13(2)18-10-9-17(20)12-19(18)16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,1-2H3.
What are the key properties of 2-(5-chloro-2-propan-2-ylphenyl)naphthalene?
2-(5-chloro-2-propan-2-ylphenyl)naphthalene has a molecular weight of 280.80 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-propan-2-ylphenyl)naphthalene is sourced from PubChem (CID 142314685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).