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

C23H24O2 — CID 24881612

IUPAC5-methoxy-6-naphthalen-2-yl-1-phenylhexan-3-one
SMILESCOC(CC(=O)CCc1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C23H24O2/c1-25-23(17-22(24)14-12-18-7-3-2-4-8-18)16-19-11-13-20-9-5-6-10-21(20)15-19/h2-11,13,15,23H,12,14,16-17H2,1H3
InChIKeyMYYGJYWNQBAJPO-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.99
Rot. Bonds8

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

5-methoxy-6-naphthalen-2-yl-1-phenylhexan-3-one (PubChem CID 24881612) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 5-methoxy-6-naphthalen-2-yl-1-phenylhexan-3-one.

Molecular Properties

Compound Name5-methoxy-6-naphthalen-2-yl-1-phenylhexan-3-one
PubChem CID24881612
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name5-methoxy-6-naphthalen-2-yl-1-phenylhexan-3-one
SMILESCOC(CC(=O)CCc1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C23H24O2/c1-25-23(17-22(24)14-12-18-7-3-2-4-8-18)16-19-11-13-20-9-5-6-10-21(20)15-19/h2-11,13,15,23H,12,14,16-17H2,1H3
InChIKeyMYYGJYWNQBAJPO-UHFFFAOYSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-naphthalen-2-yl-1-phenylhexan-3-one?
The IUPAC name of 5-methoxy-6-naphthalen-2-yl-1-phenylhexan-3-one (CID 24881612) is 5-methoxy-6-naphthalen-2-yl-1-phenylhexan-3-one.
What is the SMILES notation for 5-methoxy-6-naphthalen-2-yl-1-phenylhexan-3-one?
The canonical SMILES for 5-methoxy-6-naphthalen-2-yl-1-phenylhexan-3-one is COC(CC(=O)CCc1ccccc1)Cc1ccc2ccccc2c1.
What is the InChIKey of 5-methoxy-6-naphthalen-2-yl-1-phenylhexan-3-one?
The InChIKey is MYYGJYWNQBAJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c1-25-23(17-22(24)14-12-18-7-3-2-4-8-18)16-19-11-13-20-9-5-6-10-21(20)15-19/h2-11,13,15,23H,12,14,16-17H2,1H3.
What are the key properties of 5-methoxy-6-naphthalen-2-yl-1-phenylhexan-3-one?
5-methoxy-6-naphthalen-2-yl-1-phenylhexan-3-one has a molecular weight of 332.44 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-naphthalen-2-yl-1-phenylhexan-3-one is sourced from PubChem (CID 24881612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).