3-(4-chlorophenyl)-1,2-dimethyl-1H-indene

C17H15Cl — CID 86117388

IUPAC3-(4-chlorophenyl)-1,2-dimethyl-1H-indene
SMILESCC1=C(c2ccc(Cl)cc2)c2ccccc2C1C
InChIInChI=1S/C17H15Cl/c1-11-12(2)17(13-7-9-14(18)10-8-13)16-6-4-3-5-15(11)16/h3-11H,1-2H3
InChIKeyGUIOWMODSOAEOC-UHFFFAOYSA-N
MW254.76 g/mol
LogP5.28
Rot. Bonds1

About 3-(4-chlorophenyl)-1,2-dimethyl-1H-indene

3-(4-chlorophenyl)-1,2-dimethyl-1H-indene (PubChem CID 86117388) has the molecular formula C17H15Cl and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,2-dimethyl-1H-indene.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,2-dimethyl-1H-indene
PubChem CID86117388
Molecular FormulaC17H15Cl
Molecular Weight254.76 g/mol
Exact Mass254.09
IUPAC Name3-(4-chlorophenyl)-1,2-dimethyl-1H-indene
SMILESCC1=C(c2ccc(Cl)cc2)c2ccccc2C1C
InChIInChI=1S/C17H15Cl/c1-11-12(2)17(13-7-9-14(18)10-8-13)16-6-4-3-5-15(11)16/h3-11H,1-2H3
InChIKeyGUIOWMODSOAEOC-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.76
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,2-dimethyl-1H-indene?
The IUPAC name of 3-(4-chlorophenyl)-1,2-dimethyl-1H-indene (CID 86117388) is 3-(4-chlorophenyl)-1,2-dimethyl-1H-indene.
What is the SMILES notation for 3-(4-chlorophenyl)-1,2-dimethyl-1H-indene?
The canonical SMILES for 3-(4-chlorophenyl)-1,2-dimethyl-1H-indene is CC1=C(c2ccc(Cl)cc2)c2ccccc2C1C.
What is the InChIKey of 3-(4-chlorophenyl)-1,2-dimethyl-1H-indene?
The InChIKey is GUIOWMODSOAEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl/c1-11-12(2)17(13-7-9-14(18)10-8-13)16-6-4-3-5-15(11)16/h3-11H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-1,2-dimethyl-1H-indene?
3-(4-chlorophenyl)-1,2-dimethyl-1H-indene has a molecular weight of 254.76 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,2-dimethyl-1H-indene is sourced from PubChem (CID 86117388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).