2-chloro-3-propan-2-ylnaphthalene

C13H13Cl — CID 122693592

IUPAC2-chloro-3-propan-2-ylnaphthalene
SMILESCC(C)c1cc2ccccc2cc1Cl
InChIInChI=1S/C13H13Cl/c1-9(2)12-7-10-5-3-4-6-11(10)8-13(12)14/h3-9H,1-2H3
InChIKeyHRUHPGDCBXERCH-UHFFFAOYSA-N
MW204.70 g/mol
LogP4.62
Rot. Bonds1

About 2-chloro-3-propan-2-ylnaphthalene

2-chloro-3-propan-2-ylnaphthalene (PubChem CID 122693592) has the molecular formula C13H13Cl and a molecular weight of 204.70 g/mol. Its IUPAC name is 2-chloro-3-propan-2-ylnaphthalene.

Molecular Properties

Compound Name2-chloro-3-propan-2-ylnaphthalene
PubChem CID122693592
Molecular FormulaC13H13Cl
Molecular Weight204.70 g/mol
Exact Mass204.07
IUPAC Name2-chloro-3-propan-2-ylnaphthalene
SMILESCC(C)c1cc2ccccc2cc1Cl
InChIInChI=1S/C13H13Cl/c1-9(2)12-7-10-5-3-4-6-11(10)8-13(12)14/h3-9H,1-2H3
InChIKeyHRUHPGDCBXERCH-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-propan-2-ylnaphthalene?
The IUPAC name of 2-chloro-3-propan-2-ylnaphthalene (CID 122693592) is 2-chloro-3-propan-2-ylnaphthalene.
What is the SMILES notation for 2-chloro-3-propan-2-ylnaphthalene?
The canonical SMILES for 2-chloro-3-propan-2-ylnaphthalene is CC(C)c1cc2ccccc2cc1Cl.
What is the InChIKey of 2-chloro-3-propan-2-ylnaphthalene?
The InChIKey is HRUHPGDCBXERCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl/c1-9(2)12-7-10-5-3-4-6-11(10)8-13(12)14/h3-9H,1-2H3.
What are the key properties of 2-chloro-3-propan-2-ylnaphthalene?
2-chloro-3-propan-2-ylnaphthalene has a molecular weight of 204.70 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-propan-2-ylnaphthalene is sourced from PubChem (CID 122693592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).