6-[1-(2-methoxyphenyl)-5-morpholin-4-ylpentyl]-1,3-benzodioxol-5-ol

C23H29NO5 — CID 167151964

IUPAC6-[1-(2-methoxyphenyl)-5-morpholin-4-ylpentyl]-1,3-benzodioxol-5-ol
SMILESCOc1ccccc1C(CCCCN1CCOCC1)c1cc2c(cc1O)OCO2
InChIInChI=1S/C23H29NO5/c1-26-21-8-3-2-7-18(21)17(6-4-5-9-24-10-12-27-13-11-24)19-14-22-23(15-20(19)25)29-16-28-22/h2-3,7-8,14-15,17,25H,4-6,9-13,16H2,1H3
InChIKeyMEACWCXRQMOWQV-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.76
Rot. Bonds8

About 6-[1-(2-methoxyphenyl)-5-morpholin-4-ylpentyl]-1,3-benzodioxol-5-ol

6-[1-(2-methoxyphenyl)-5-morpholin-4-ylpentyl]-1,3-benzodioxol-5-ol (PubChem CID 167151964) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is 6-[1-(2-methoxyphenyl)-5-morpholin-4-ylpentyl]-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-[1-(2-methoxyphenyl)-5-morpholin-4-ylpentyl]-1,3-benzodioxol-5-ol
PubChem CID167151964
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name6-[1-(2-methoxyphenyl)-5-morpholin-4-ylpentyl]-1,3-benzodioxol-5-ol
SMILESCOc1ccccc1C(CCCCN1CCOCC1)c1cc2c(cc1O)OCO2
InChIInChI=1S/C23H29NO5/c1-26-21-8-3-2-7-18(21)17(6-4-5-9-24-10-12-27-13-11-24)19-14-22-23(15-20(19)25)29-16-28-22/h2-3,7-8,14-15,17,25H,4-6,9-13,16H2,1H3
InChIKeyMEACWCXRQMOWQV-UHFFFAOYSA-N
XLogP3.76
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-methoxyphenyl)-5-morpholin-4-ylpentyl]-1,3-benzodioxol-5-ol?
The IUPAC name of 6-[1-(2-methoxyphenyl)-5-morpholin-4-ylpentyl]-1,3-benzodioxol-5-ol (CID 167151964) is 6-[1-(2-methoxyphenyl)-5-morpholin-4-ylpentyl]-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-[1-(2-methoxyphenyl)-5-morpholin-4-ylpentyl]-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-[1-(2-methoxyphenyl)-5-morpholin-4-ylpentyl]-1,3-benzodioxol-5-ol is COc1ccccc1C(CCCCN1CCOCC1)c1cc2c(cc1O)OCO2.
What is the InChIKey of 6-[1-(2-methoxyphenyl)-5-morpholin-4-ylpentyl]-1,3-benzodioxol-5-ol?
The InChIKey is MEACWCXRQMOWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-26-21-8-3-2-7-18(21)17(6-4-5-9-24-10-12-27-13-11-24)19-14-22-23(15-20(19)25)29-16-28-22/h2-3,7-8,14-15,17,25H,4-6,9-13,16H2,1H3.
What are the key properties of 6-[1-(2-methoxyphenyl)-5-morpholin-4-ylpentyl]-1,3-benzodioxol-5-ol?
6-[1-(2-methoxyphenyl)-5-morpholin-4-ylpentyl]-1,3-benzodioxol-5-ol has a molecular weight of 399.49 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-methoxyphenyl)-5-morpholin-4-ylpentyl]-1,3-benzodioxol-5-ol is sourced from PubChem (CID 167151964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).