2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone

C23H23NO5 — CID 172661465

IUPAC2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
SMILESCOc1cc(-c2ccc3ccc(OCC(=O)N4CCOCC4)cc3c2)ccc1O
InChIInChI=1S/C23H23NO5/c1-27-22-14-18(5-7-21(22)25)17-3-2-16-4-6-20(13-19(16)12-17)29-15-23(26)24-8-10-28-11-9-24/h2-7,12-14,25H,8-11,15H2,1H3
InChIKeyBFEFSVPSNHNURV-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.46
Rot. Bonds5

About 2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone

2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone (PubChem CID 172661465) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
PubChem CID172661465
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
SMILESCOc1cc(-c2ccc3ccc(OCC(=O)N4CCOCC4)cc3c2)ccc1O
InChIInChI=1S/C23H23NO5/c1-27-22-14-18(5-7-21(22)25)17-3-2-16-4-6-20(13-19(16)12-17)29-15-23(26)24-8-10-28-11-9-24/h2-7,12-14,25H,8-11,15H2,1H3
InChIKeyBFEFSVPSNHNURV-UHFFFAOYSA-N
XLogP3.46
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 172662683
2-[7-(5-fluoro-3-pyridinyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 172667855
3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid
CID 70031847
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 102702500
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 82915625
4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one
CID 135900164
3-methoxy-N'-[2-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
CID 25163897
1,1,1,3,3,3-hexafluoropropan-2-yl 5-(2-morpholin-4-yl-2-oxoethoxy)isoindole-2-carboxylate
CID 138619134

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone (CID 172661465) is 2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone is COc1cc(-c2ccc3ccc(OCC(=O)N4CCOCC4)cc3c2)ccc1O.
What is the InChIKey of 2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone?
The InChIKey is BFEFSVPSNHNURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-27-22-14-18(5-7-21(22)25)17-3-2-16-4-6-20(13-19(16)12-17)29-15-23(26)24-8-10-28-11-9-24/h2-7,12-14,25H,8-11,15H2,1H3.
What are the key properties of 2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone?
2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone has a molecular weight of 393.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 172661465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).