5-chloro-3-(2-methoxyphenyl)-1H-indene

C16H13ClO — CID 59025516

IUPAC5-chloro-3-(2-methoxyphenyl)-1H-indene
SMILESCOc1ccccc1C1=CCc2ccc(Cl)cc21
InChIInChI=1S/C16H13ClO/c1-18-16-5-3-2-4-14(16)13-9-7-11-6-8-12(17)10-15(11)13/h2-6,8-10H,7H2,1H3
InChIKeyZZIBWSOOKYNNRH-UHFFFAOYSA-N
MW256.73 g/mol
LogP4.34
Rot. Bonds2

About 5-chloro-3-(2-methoxyphenyl)-1H-indene

5-chloro-3-(2-methoxyphenyl)-1H-indene (PubChem CID 59025516) has the molecular formula C16H13ClO and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-chloro-3-(2-methoxyphenyl)-1H-indene.

Molecular Properties

Compound Name5-chloro-3-(2-methoxyphenyl)-1H-indene
PubChem CID59025516
Molecular FormulaC16H13ClO
Molecular Weight256.73 g/mol
Exact Mass256.07
IUPAC Name5-chloro-3-(2-methoxyphenyl)-1H-indene
SMILESCOc1ccccc1C1=CCc2ccc(Cl)cc21
InChIInChI=1S/C16H13ClO/c1-18-16-5-3-2-4-14(16)13-9-7-11-6-8-12(17)10-15(11)13/h2-6,8-10H,7H2,1H3
InChIKeyZZIBWSOOKYNNRH-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-chloro-3-(2-methoxyphenyl)-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methoxyphenyl)-1H-indene?
The IUPAC name of 5-chloro-3-(2-methoxyphenyl)-1H-indene (CID 59025516) is 5-chloro-3-(2-methoxyphenyl)-1H-indene.
What is the SMILES notation for 5-chloro-3-(2-methoxyphenyl)-1H-indene?
The canonical SMILES for 5-chloro-3-(2-methoxyphenyl)-1H-indene is COc1ccccc1C1=CCc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-(2-methoxyphenyl)-1H-indene?
The InChIKey is ZZIBWSOOKYNNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO/c1-18-16-5-3-2-4-14(16)13-9-7-11-6-8-12(17)10-15(11)13/h2-6,8-10H,7H2,1H3.
What are the key properties of 5-chloro-3-(2-methoxyphenyl)-1H-indene?
5-chloro-3-(2-methoxyphenyl)-1H-indene has a molecular weight of 256.73 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methoxyphenyl)-1H-indene is sourced from PubChem (CID 59025516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).