1-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindene

C17H17Cl — CID 15915282

IUPAC1-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindene
SMILESCC1(C)CC(c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H17Cl/c1-17(2)11-15(12-6-5-7-13(18)10-12)14-8-3-4-9-16(14)17/h3-10,15H,11H2,1-2H3
InChIKeyWKZPBVWMAVYJFH-UHFFFAOYSA-N
MW256.78 g/mol
LogP5.15
Rot. Bonds1

About 1-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindene

1-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindene (PubChem CID 15915282) has the molecular formula C17H17Cl and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindene.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindene
PubChem CID15915282
Molecular FormulaC17H17Cl
Molecular Weight256.78 g/mol
Exact Mass256.10
IUPAC Name1-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindene
SMILESCC1(C)CC(c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H17Cl/c1-17(2)11-15(12-6-5-7-13(18)10-12)14-8-3-4-9-16(14)17/h3-10,15H,11H2,1-2H3
InChIKeyWKZPBVWMAVYJFH-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.78
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindene?
The IUPAC name of 1-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindene (CID 15915282) is 1-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindene.
What is the SMILES notation for 1-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindene?
The canonical SMILES for 1-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindene is CC1(C)CC(c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 1-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindene?
The InChIKey is WKZPBVWMAVYJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl/c1-17(2)11-15(12-6-5-7-13(18)10-12)14-8-3-4-9-16(14)17/h3-10,15H,11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindene?
1-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindene has a molecular weight of 256.78 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3,3-dimethyl-1,2-dihydroindene is sourced from PubChem (CID 15915282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).