4-(4-chlorophenyl)-2-ethyl-1H-indene

C17H15Cl — CID 18008260

IUPAC4-(4-chlorophenyl)-2-ethyl-1H-indene
SMILESCCC1=Cc2c(cccc2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H15Cl/c1-2-12-10-14-4-3-5-16(17(14)11-12)13-6-8-15(18)9-7-13/h3-9,11H,2,10H2,1H3
InChIKeyALUVGOFYNQRNQV-UHFFFAOYSA-N
MW254.76 g/mol
LogP5.36
Rot. Bonds2

About 4-(4-chlorophenyl)-2-ethyl-1H-indene

4-(4-chlorophenyl)-2-ethyl-1H-indene (PubChem CID 18008260) has the molecular formula C17H15Cl and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-ethyl-1H-indene.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-ethyl-1H-indene
PubChem CID18008260
Molecular FormulaC17H15Cl
Molecular Weight254.76 g/mol
Exact Mass254.09
IUPAC Name4-(4-chlorophenyl)-2-ethyl-1H-indene
SMILESCCC1=Cc2c(cccc2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H15Cl/c1-2-12-10-14-4-3-5-16(17(14)11-12)13-6-8-15(18)9-7-13/h3-9,11H,2,10H2,1H3
InChIKeyALUVGOFYNQRNQV-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.76
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-ethyl-1H-indene?
The IUPAC name of 4-(4-chlorophenyl)-2-ethyl-1H-indene (CID 18008260) is 4-(4-chlorophenyl)-2-ethyl-1H-indene.
What is the SMILES notation for 4-(4-chlorophenyl)-2-ethyl-1H-indene?
The canonical SMILES for 4-(4-chlorophenyl)-2-ethyl-1H-indene is CCC1=Cc2c(cccc2-c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-(4-chlorophenyl)-2-ethyl-1H-indene?
The InChIKey is ALUVGOFYNQRNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl/c1-2-12-10-14-4-3-5-16(17(14)11-12)13-6-8-15(18)9-7-13/h3-9,11H,2,10H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-ethyl-1H-indene?
4-(4-chlorophenyl)-2-ethyl-1H-indene has a molecular weight of 254.76 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-ethyl-1H-indene is sourced from PubChem (CID 18008260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).