1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one

C₂₆H₁₉ClO — CID 130380057

About 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one

1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one (PubChem CID 130380057) has the molecular formula C₂₆H₁₉ClO and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one.

Molecular Properties

• Compound Name: 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one
• PubChem CID: 130380057
• Molecular Formula: C₂₆H₁₉ClO
• Molecular Weight: 382.89 g/mol
• Exact Mass: 382.11
• IUPAC Name: 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one
• SMILES: CC1C=CC2=C(C(=O)c3ccccc32)C1c1cc(Cl)cc(-c2ccccc2)c1
• InChI: InChI=1S/C26H19ClO/c1-16-11-12-22-21-9-5-6-10-23(21)26(28)25(22)24(16)19-13-18(14-20(27)15-19)17-7-3-2-4-8-17/h2-16,24H,1H3
• InChIKey: RRVBQHQUCHQGTK-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.89
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one?

The IUPAC name of 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one (CID 130380057) is 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one.

What is the SMILES notation for 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one?

The canonical SMILES for 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one is CC1C=CC2=C(C(=O)c3ccccc32)C1c1cc(Cl)cc(-c2ccccc2)c1.

What is the InChIKey of 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one?

The InChIKey is RRVBQHQUCHQGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClO/c1-16-11-12-22-21-9-5-6-10-23(21)26(28)25(22)24(16)19-13-18(14-20(27)15-19)17-7-3-2-4-8-17/h2-16,24H,1H3.

What are the key properties of 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one?

1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one has a molecular weight of 382.89 g/mol, XLogP of 6.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-5-phenylphenyl)-2-methyl-1,2-dihydrofluoren-9-one is sourced from PubChem (CID 130380057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130380057 — identifiers, structure, computed properties (public domain)

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