[7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol

C21H25NO4 — CID 156606822

IUPAC[7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
SMILESCOc1ccc2c(c1)OCC1(CO)CN(CCOc3ccccc3)CC21
InChIInChI=1S/C21H25NO4/c1-24-17-7-8-18-19-12-22(9-10-25-16-5-3-2-4-6-16)13-21(19,14-23)15-26-20(18)11-17/h2-8,11,19,23H,9-10,12-15H2,1H3
InChIKeyFJKMXJMQDRNIRG-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.54
Rot. Bonds6

About [7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol

[7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 156606822) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
PubChem CID156606822
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
SMILESCOc1ccc2c(c1)OCC1(CO)CN(CCOc3ccccc3)CC21
InChIInChI=1S/C21H25NO4/c1-24-17-7-8-18-19-12-22(9-10-25-16-5-3-2-4-6-16)13-21(19,14-23)15-26-20(18)11-17/h2-8,11,19,23H,9-10,12-15H2,1H3
InChIKeyFJKMXJMQDRNIRG-UHFFFAOYSA-N
XLogP2.54
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol with MolForge

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Related Compounds

[(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
CID 72905415
[(3aS,9bS)-2-(1H-imidazol-5-ylmethyl)-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
CID 72878196
[(3aS,9bS)-2-[(4-chloro-3-fluorophenyl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
CID 72932199
[7-methoxy-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
CID 156605978
7-methoxy-2-[(4-methoxyphenyl)methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrole-3a-carboxylic acid
CID 156604888
1-[2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
CID 24845436
1-[2-[4-[3-(2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]phenoxy]ethyl]pyrrolidine
CID 18355523
1-[2-[4-(6-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]pyrrolidine
CID 18355487
2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl)phenoxy]ethanol
CID 21155263
(3aR,9bR)-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrole-3a-carboxylic acid
CID 72855391
1-[2-[4-[7-methoxy-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]phenoxy]ethyl]piperidine
CID 18355537
(4S)-4-methyl-3,4-dihydro-2H-chromen-7-ol;phenol;1-(2-phenoxyethyl)piperidine
CID 142952789

Frequently Asked Questions

What is the IUPAC name of [7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol?
The IUPAC name of [7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol (CID 156606822) is [7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol?
The canonical SMILES for [7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol is COc1ccc2c(c1)OCC1(CO)CN(CCOc3ccccc3)CC21.
What is the InChIKey of [7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol?
The InChIKey is FJKMXJMQDRNIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-24-17-7-8-18-19-12-22(9-10-25-16-5-3-2-4-6-16)13-21(19,14-23)15-26-20(18)11-17/h2-8,11,19,23H,9-10,12-15H2,1H3.
What are the key properties of [7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol?
[7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 355.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-2-(2-phenoxyethyl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 156606822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).