1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone

C20H18O2 — CID 143253129

IUPAC1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2ccccc2c1OC(C)c1ccccc1
InChIInChI=1S/C20H18O2/c1-14(21)18-13-12-17-10-6-7-11-19(17)20(18)22-15(2)16-8-4-3-5-9-16/h3-13,15H,1-2H3
InChIKeyMRRGSKAXMJIQHO-UHFFFAOYSA-N
MW290.36 g/mol
LogP5.18
Rot. Bonds4

About 1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone

1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone (PubChem CID 143253129) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone
PubChem CID143253129
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2ccccc2c1OC(C)c1ccccc1
InChIInChI=1S/C20H18O2/c1-14(21)18-13-12-17-10-6-7-11-19(17)20(18)22-15(2)16-8-4-3-5-9-16/h3-13,15H,1-2H3
InChIKeyMRRGSKAXMJIQHO-UHFFFAOYSA-N
XLogP5.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.36
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone?
The IUPAC name of 1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone (CID 143253129) is 1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone is CC(=O)c1ccc2ccccc2c1OC(C)c1ccccc1.
What is the InChIKey of 1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone?
The InChIKey is MRRGSKAXMJIQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-14(21)18-13-12-17-10-6-7-11-19(17)20(18)22-15(2)16-8-4-3-5-9-16/h3-13,15H,1-2H3.
What are the key properties of 1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone?
1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone has a molecular weight of 290.36 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone is sourced from PubChem (CID 143253129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).