6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one

C₃₂H₂₈O₄ — CID 158814676

About 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one

6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 158814676) has the molecular formula C₃₂H₂₈O₄ and a molecular weight of 476.57 g/mol. Its IUPAC name is 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

• Compound Name: 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one
• PubChem CID: 158814676
• Molecular Formula: C₃₂H₂₈O₄
• Molecular Weight: 476.57 g/mol
• Exact Mass: 476.20
• IUPAC Name: 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one
• SMILES: O=C1c2ccc(O)cc2CCC1c1ccccc1.O=C1c2ccc(O)cc2CCC1c1ccccc1
• InChI: InChI=1S/2C16H14O2/c2*17-13-7-9-15-12(10-13)6-8-14(16(15)18)11-4-2-1-3-5-11/h2*1-5,7,9-10,14,17H,6,8H2
• InChIKey: IVCRBYOSVNHNSU-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 74.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.57
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one?

The IUPAC name of 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one (CID 158814676) is 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one.

What is the SMILES notation for 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one?

The canonical SMILES for 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccc(O)cc2CCC1c1ccccc1.O=C1c2ccc(O)cc2CCC1c1ccccc1.

What is the InChIKey of 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one?

The InChIKey is IVCRBYOSVNHNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14O2/c2*17-13-7-9-15-12(10-13)6-8-14(16(15)18)11-4-2-1-3-5-11/h2*1-5,7,9-10,14,17H,6,8H2.

What are the key properties of 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one?

6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 476.57 g/mol, XLogP of 6.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 158814676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158814676 — identifiers, structure, computed properties (public domain)

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