1,3-benzodioxol-5-yl-(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanol

C25H24ClNO4 — CID 69499499

IUPAC1,3-benzodioxol-5-yl-(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C25H24ClNO4/c26-22-8-5-20(6-9-22)25(28,21-7-10-23-24(15-21)31-17-30-23)19-3-1-18(2-4-19)16-27-11-13-29-14-12-27/h1-10,15,28H,11-14,16-17H2
InChIKeyMEAPNBWEARHMMT-UHFFFAOYSA-N
MW437.92 g/mol
LogP4.19
Rot. Bonds5

About 1,3-benzodioxol-5-yl-(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanol

1,3-benzodioxol-5-yl-(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanol (PubChem CID 69499499) has the molecular formula C25H24ClNO4 and a molecular weight of 437.92 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanol.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanol
PubChem CID69499499
Molecular FormulaC25H24ClNO4
Molecular Weight437.92 g/mol
Exact Mass437.14
IUPAC Name1,3-benzodioxol-5-yl-(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C25H24ClNO4/c26-22-8-5-20(6-9-22)25(28,21-7-10-23-24(15-21)31-17-30-23)19-3-1-18(2-4-19)16-27-11-13-29-14-12-27/h1-10,15,28H,11-14,16-17H2
InChIKeyMEAPNBWEARHMMT-UHFFFAOYSA-N
XLogP4.19
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.92
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine
CID 791218
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 2315916
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
N'-(1,3-benzodioxol-5-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]oxamide
CID 5305801
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809733
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonylpiperazine
CID 1131734
1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
CID 130380752
1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 95982924
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-chlorophenoxy)propan-2-ol
CID 2370092
(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 2046958
N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 90497880

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanol?
The IUPAC name of 1,3-benzodioxol-5-yl-(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanol (CID 69499499) is 1,3-benzodioxol-5-yl-(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanol.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanol?
The canonical SMILES for 1,3-benzodioxol-5-yl-(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanol is OC(c1ccc(Cl)cc1)(c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-yl-(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanol?
The InChIKey is MEAPNBWEARHMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO4/c26-22-8-5-20(6-9-22)25(28,21-7-10-23-24(15-21)31-17-30-23)19-3-1-18(2-4-19)16-27-11-13-29-14-12-27/h1-10,15,28H,11-14,16-17H2.
What are the key properties of 1,3-benzodioxol-5-yl-(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanol?
1,3-benzodioxol-5-yl-(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanol has a molecular weight of 437.92 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanol is sourced from PubChem (CID 69499499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).