1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone

C17H19NO3 — CID 81469263

IUPAC1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone
SMILESCOc1ccc2cc(C(=O)CC3COCCN3)ccc2c1
InChIInChI=1S/C17H19NO3/c1-20-16-5-4-12-8-14(3-2-13(12)9-16)17(19)10-15-11-21-7-6-18-15/h2-5,8-9,15,18H,6-7,10-11H2,1H3
InChIKeyHLZUKENYDVFANP-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.41
Rot. Bonds4

About 1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone

1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone (PubChem CID 81469263) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone
PubChem CID81469263
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone
SMILESCOc1ccc2cc(C(=O)CC3COCCN3)ccc2c1
InChIInChI=1S/C17H19NO3/c1-20-16-5-4-12-8-14(3-2-13(12)9-16)17(19)10-15-11-21-7-6-18-15/h2-5,8-9,15,18H,6-7,10-11H2,1H3
InChIKeyHLZUKENYDVFANP-UHFFFAOYSA-N
XLogP2.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone (CID 81469263) is 1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone is COc1ccc2cc(C(=O)CC3COCCN3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone?
The InChIKey is HLZUKENYDVFANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-16-5-4-12-8-14(3-2-13(12)9-16)17(19)10-15-11-21-7-6-18-15/h2-5,8-9,15,18H,6-7,10-11H2,1H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone?
1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone has a molecular weight of 285.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone is sourced from PubChem (CID 81469263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).