1-chloro-2,3-dipropylnaphthalene

C16H19Cl — CID 134964627

IUPAC1-chloro-2,3-dipropylnaphthalene
SMILESCCCc1cc2ccccc2c(Cl)c1CCC
InChIInChI=1S/C16H19Cl/c1-3-7-12-11-13-9-5-6-10-15(13)16(17)14(12)8-4-2/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyAOYDNDSBYGDIHN-UHFFFAOYSA-N
MW246.78 g/mol
LogP5.40
Rot. Bonds4

About 1-chloro-2,3-dipropylnaphthalene

1-chloro-2,3-dipropylnaphthalene (PubChem CID 134964627) has the molecular formula C16H19Cl and a molecular weight of 246.78 g/mol. Its IUPAC name is 1-chloro-2,3-dipropylnaphthalene.

Molecular Properties

Compound Name1-chloro-2,3-dipropylnaphthalene
PubChem CID134964627
Molecular FormulaC16H19Cl
Molecular Weight246.78 g/mol
Exact Mass246.12
IUPAC Name1-chloro-2,3-dipropylnaphthalene
SMILESCCCc1cc2ccccc2c(Cl)c1CCC
InChIInChI=1S/C16H19Cl/c1-3-7-12-11-13-9-5-6-10-15(13)16(17)14(12)8-4-2/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyAOYDNDSBYGDIHN-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.78
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-dipropylnaphthalene?
The IUPAC name of 1-chloro-2,3-dipropylnaphthalene (CID 134964627) is 1-chloro-2,3-dipropylnaphthalene.
What is the SMILES notation for 1-chloro-2,3-dipropylnaphthalene?
The canonical SMILES for 1-chloro-2,3-dipropylnaphthalene is CCCc1cc2ccccc2c(Cl)c1CCC.
What is the InChIKey of 1-chloro-2,3-dipropylnaphthalene?
The InChIKey is AOYDNDSBYGDIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl/c1-3-7-12-11-13-9-5-6-10-15(13)16(17)14(12)8-4-2/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 1-chloro-2,3-dipropylnaphthalene?
1-chloro-2,3-dipropylnaphthalene has a molecular weight of 246.78 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3-dipropylnaphthalene is sourced from PubChem (CID 134964627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).