6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane

C18H27Cl — CID 142360610

IUPAC6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane
SMILESCC.CC1CCCc2c1ccc(Cl)c2CCC1CC1
InChIInChI=1S/C16H21Cl.C2H6/c1-11-3-2-4-14-13(11)9-10-16(17)15(14)8-7-12-5-6-12;1-2/h9-12H,2-8H2,1H3;1-2H3
InChIKeyQALBYBRUYWDEBU-UHFFFAOYSA-N
MW278.87 g/mol
LogP6.15
Rot. Bonds3

About 6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane

6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane (PubChem CID 142360610) has the molecular formula C18H27Cl and a molecular weight of 278.87 g/mol. Its IUPAC name is 6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane.

Molecular Properties

Compound Name6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane
PubChem CID142360610
Molecular FormulaC18H27Cl
Molecular Weight278.87 g/mol
Exact Mass278.18
IUPAC Name6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane
SMILESCC.CC1CCCc2c1ccc(Cl)c2CCC1CC1
InChIInChI=1S/C16H21Cl.C2H6/c1-11-3-2-4-14-13(11)9-10-16(17)15(14)8-7-12-5-6-12;1-2/h9-12H,2-8H2,1H3;1-2H3
InChIKeyQALBYBRUYWDEBU-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.87
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane?
The IUPAC name of 6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane (CID 142360610) is 6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane.
What is the SMILES notation for 6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane?
The canonical SMILES for 6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane is CC.CC1CCCc2c1ccc(Cl)c2CCC1CC1.
What is the InChIKey of 6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane?
The InChIKey is QALBYBRUYWDEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl.C2H6/c1-11-3-2-4-14-13(11)9-10-16(17)15(14)8-7-12-5-6-12;1-2/h9-12H,2-8H2,1H3;1-2H3.
What are the key properties of 6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane?
6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane has a molecular weight of 278.87 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane is sourced from PubChem (CID 142360610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).