3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene

C22H17ClO — CID 162400228

IUPAC3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene
SMILESCOc1ccc(C2=C(Cl)c3ccccc3C2c2ccccc2)cc1
InChIInChI=1S/C22H17ClO/c1-24-17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)18-9-5-6-10-19(18)22(21)23/h2-14,20H,1H3
InChIKeyZQZZLFQAMXUZSN-UHFFFAOYSA-N
MW332.83 g/mol
LogP5.95
Rot. Bonds3

About 3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene

3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene (PubChem CID 162400228) has the molecular formula C22H17ClO and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene.

Molecular Properties

Compound Name3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene
PubChem CID162400228
Molecular FormulaC22H17ClO
Molecular Weight332.83 g/mol
Exact Mass332.10
IUPAC Name3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene
SMILESCOc1ccc(C2=C(Cl)c3ccccc3C2c2ccccc2)cc1
InChIInChI=1S/C22H17ClO/c1-24-17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)18-9-5-6-10-19(18)22(21)23/h2-14,20H,1H3
InChIKeyZQZZLFQAMXUZSN-UHFFFAOYSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.83
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene?
The IUPAC name of 3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene (CID 162400228) is 3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene.
What is the SMILES notation for 3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene?
The canonical SMILES for 3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene is COc1ccc(C2=C(Cl)c3ccccc3C2c2ccccc2)cc1.
What is the InChIKey of 3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene?
The InChIKey is ZQZZLFQAMXUZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClO/c1-24-17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)18-9-5-6-10-19(18)22(21)23/h2-14,20H,1H3.
What are the key properties of 3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene?
3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene has a molecular weight of 332.83 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-methoxyphenyl)-1-phenyl-1H-indene is sourced from PubChem (CID 162400228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).