4-methoxy-5-naphthalen-2-yl-1-phenylpentan-2-one

C22H22O2 — CID 24881745

IUPAC4-methoxy-5-naphthalen-2-yl-1-phenylpentan-2-one
SMILESCOC(CC(=O)Cc1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H22O2/c1-24-22(16-21(23)14-17-7-3-2-4-8-17)15-18-11-12-19-9-5-6-10-20(19)13-18/h2-13,22H,14-16H2,1H3
InChIKeyRGWPTINESMQXIC-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.60
Rot. Bonds7

About 4-methoxy-5-naphthalen-2-yl-1-phenylpentan-2-one

4-methoxy-5-naphthalen-2-yl-1-phenylpentan-2-one (PubChem CID 24881745) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-methoxy-5-naphthalen-2-yl-1-phenylpentan-2-one.

Molecular Properties

Compound Name4-methoxy-5-naphthalen-2-yl-1-phenylpentan-2-one
PubChem CID24881745
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name4-methoxy-5-naphthalen-2-yl-1-phenylpentan-2-one
SMILESCOC(CC(=O)Cc1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H22O2/c1-24-22(16-21(23)14-17-7-3-2-4-8-17)15-18-11-12-19-9-5-6-10-20(19)13-18/h2-13,22H,14-16H2,1H3
InChIKeyRGWPTINESMQXIC-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-naphthalen-2-yl-1-phenylpentan-2-one?
The IUPAC name of 4-methoxy-5-naphthalen-2-yl-1-phenylpentan-2-one (CID 24881745) is 4-methoxy-5-naphthalen-2-yl-1-phenylpentan-2-one.
What is the SMILES notation for 4-methoxy-5-naphthalen-2-yl-1-phenylpentan-2-one?
The canonical SMILES for 4-methoxy-5-naphthalen-2-yl-1-phenylpentan-2-one is COC(CC(=O)Cc1ccccc1)Cc1ccc2ccccc2c1.
What is the InChIKey of 4-methoxy-5-naphthalen-2-yl-1-phenylpentan-2-one?
The InChIKey is RGWPTINESMQXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-24-22(16-21(23)14-17-7-3-2-4-8-17)15-18-11-12-19-9-5-6-10-20(19)13-18/h2-13,22H,14-16H2,1H3.
What are the key properties of 4-methoxy-5-naphthalen-2-yl-1-phenylpentan-2-one?
4-methoxy-5-naphthalen-2-yl-1-phenylpentan-2-one has a molecular weight of 318.42 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-naphthalen-2-yl-1-phenylpentan-2-one is sourced from PubChem (CID 24881745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).