5-hydroxy-6-naphthalen-2-yl-1-phenylhexan-3-one

C22H22O2 — CID 24881684

IUPAC5-hydroxy-6-naphthalen-2-yl-1-phenylhexan-3-one
SMILESO=C(CCc1ccccc1)CC(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H22O2/c23-21(13-11-17-6-2-1-3-7-17)16-22(24)15-18-10-12-19-8-4-5-9-20(19)14-18/h1-10,12,14,22,24H,11,13,15-16H2
InChIKeyDONPJFPRHLHDLO-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.34
Rot. Bonds7

About 5-hydroxy-6-naphthalen-2-yl-1-phenylhexan-3-one

5-hydroxy-6-naphthalen-2-yl-1-phenylhexan-3-one (PubChem CID 24881684) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-hydroxy-6-naphthalen-2-yl-1-phenylhexan-3-one.

Molecular Properties

Compound Name5-hydroxy-6-naphthalen-2-yl-1-phenylhexan-3-one
PubChem CID24881684
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name5-hydroxy-6-naphthalen-2-yl-1-phenylhexan-3-one
SMILESO=C(CCc1ccccc1)CC(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H22O2/c23-21(13-11-17-6-2-1-3-7-17)16-22(24)15-18-10-12-19-8-4-5-9-20(19)14-18/h1-10,12,14,22,24H,11,13,15-16H2
InChIKeyDONPJFPRHLHDLO-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-naphthalen-2-yl-1-phenylhexan-3-one?
The IUPAC name of 5-hydroxy-6-naphthalen-2-yl-1-phenylhexan-3-one (CID 24881684) is 5-hydroxy-6-naphthalen-2-yl-1-phenylhexan-3-one.
What is the SMILES notation for 5-hydroxy-6-naphthalen-2-yl-1-phenylhexan-3-one?
The canonical SMILES for 5-hydroxy-6-naphthalen-2-yl-1-phenylhexan-3-one is O=C(CCc1ccccc1)CC(O)Cc1ccc2ccccc2c1.
What is the InChIKey of 5-hydroxy-6-naphthalen-2-yl-1-phenylhexan-3-one?
The InChIKey is DONPJFPRHLHDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c23-21(13-11-17-6-2-1-3-7-17)16-22(24)15-18-10-12-19-8-4-5-9-20(19)14-18/h1-10,12,14,22,24H,11,13,15-16H2.
What are the key properties of 5-hydroxy-6-naphthalen-2-yl-1-phenylhexan-3-one?
5-hydroxy-6-naphthalen-2-yl-1-phenylhexan-3-one has a molecular weight of 318.42 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-naphthalen-2-yl-1-phenylhexan-3-one is sourced from PubChem (CID 24881684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).