1-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]naphthalen-2-ol

C23H25NO4 — CID 621551

IUPAC1-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
SMILESCOc1ccc(C(c2c(O)ccc3ccccc23)N2CCOCC2)c(OC)c1
InChIInChI=1S/C23H25NO4/c1-26-17-8-9-19(21(15-17)27-2)23(24-11-13-28-14-12-24)22-18-6-4-3-5-16(18)7-10-20(22)25/h3-10,15,23,25H,11-14H2,1-2H3
InChIKeyMCQQTDAWUXZMTO-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.98
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]naphthalen-2-ol

1-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]naphthalen-2-ol (PubChem CID 621551) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
PubChem CID621551
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name1-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
SMILESCOc1ccc(C(c2c(O)ccc3ccccc23)N2CCOCC2)c(OC)c1
InChIInChI=1S/C23H25NO4/c1-26-17-8-9-19(21(15-17)27-2)23(24-11-13-28-14-12-24)22-18-6-4-3-5-16(18)7-10-20(22)25/h3-10,15,23,25H,11-14H2,1-2H3
InChIKeyMCQQTDAWUXZMTO-UHFFFAOYSA-N
XLogP3.98
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]naphthalen-2-ol?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]naphthalen-2-ol (CID 621551) is 1-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]naphthalen-2-ol is COc1ccc(C(c2c(O)ccc3ccccc23)N2CCOCC2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]naphthalen-2-ol?
The InChIKey is MCQQTDAWUXZMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-26-17-8-9-19(21(15-17)27-2)23(24-11-13-28-14-12-24)22-18-6-4-3-5-16(18)7-10-20(22)25/h3-10,15,23,25H,11-14H2,1-2H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]naphthalen-2-ol?
1-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]naphthalen-2-ol has a molecular weight of 379.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]naphthalen-2-ol is sourced from PubChem (CID 621551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).