(4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone

C23H23NO5 — CID 95550019

IUPAC(4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
SMILESCOc1ccc2cc([C@H]3CN(C(=O)c4ccc(O)c(OC)c4)CCO3)ccc2c1
InChIInChI=1S/C23H23NO5/c1-27-19-7-5-15-11-17(4-3-16(15)12-19)22-14-24(9-10-29-22)23(26)18-6-8-20(25)21(13-18)28-2/h3-8,11-13,22,25H,9-10,14H2,1-2H3/t22-/m1/s1
InChIKeyBZQWCASMCBSCJV-JOCHJYFZSA-N
MW393.44 g/mol
LogP3.78
Rot. Bonds4

About (4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone

(4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone (PubChem CID 95550019) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is (4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
PubChem CID95550019
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name(4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
SMILESCOc1ccc2cc([C@H]3CN(C(=O)c4ccc(O)c(OC)c4)CCO3)ccc2c1
InChIInChI=1S/C23H23NO5/c1-27-19-7-5-15-11-17(4-3-16(15)12-19)22-14-24(9-10-29-22)23(26)18-6-8-20(25)21(13-18)28-2/h3-8,11-13,22,25H,9-10,14H2,1-2H3/t22-/m1/s1
InChIKeyBZQWCASMCBSCJV-JOCHJYFZSA-N
XLogP3.78
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-4-pyridinyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 95555521
[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 56874345
[3-(hydroxymethyl)phenyl]-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 95468929
(5-hydroxy-2-pyridinyl)-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 95555607
(3,5-dimethoxyphenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327180
5-methoxy-2-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-1H-pyridin-4-one
CID 56860999
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327211
1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione
CID 95562775
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione
CID 95562776
(1-aminocyclobutyl)-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone;hydrochloride
CID 154924796
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56875502

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone (CID 95550019) is (4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone is COc1ccc2cc([C@H]3CN(C(=O)c4ccc(O)c(OC)c4)CCO3)ccc2c1.
What is the InChIKey of (4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone?
The InChIKey is BZQWCASMCBSCJV-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23NO5/c1-27-19-7-5-15-11-17(4-3-16(15)12-19)22-14-24(9-10-29-22)23(26)18-6-8-20(25)21(13-18)28-2/h3-8,11-13,22,25H,9-10,14H2,1-2H3/t22-/m1/s1.
What are the key properties of (4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone?
(4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone has a molecular weight of 393.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 95550019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).