3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole

C25H29NO2 — CID 154712277

IUPAC3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole
SMILESc1ccc(CC2CCc3[nH]c4ccccc4c3C2COC2CCCCO2)cc1
InChIInChI=1S/C25H29NO2/c1-2-8-18(9-3-1)16-19-13-14-23-25(20-10-4-5-11-22(20)26-23)21(19)17-28-24-12-6-7-15-27-24/h1-5,8-11,19,21,24,26H,6-7,12-17H2
InChIKeyHHBPBJUWXFLCBH-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.60
Rot. Bonds5

About 3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole

3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 154712277) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID154712277
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole
SMILESc1ccc(CC2CCc3[nH]c4ccccc4c3C2COC2CCCCO2)cc1
InChIInChI=1S/C25H29NO2/c1-2-8-18(9-3-1)16-19-13-14-23-25(20-10-4-5-11-22(20)26-23)21(19)17-28-24-12-6-7-15-27-24/h1-5,8-11,19,21,24,26H,6-7,12-17H2
InChIKeyHHBPBJUWXFLCBH-UHFFFAOYSA-N
XLogP5.60
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(oxan-2-yloxymethyl)-3-(2-phenylethynyl)-1H-indole
CID 11198338
2-(2-phenoxyethoxy)oxane
CID 11736193
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177006
(3R,4S)-4-benzyl-3-(3-methylbutyl)-1-(oxan-2-yloxy)azetidin-2-one
CID 10936465
[(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol
CID 10733394
4-(hydroxymethyl)-3-(oxan-2-yloxymethyl)-2-(2-phenylmethoxyethyl)cyclopentan-1-one
CID 21449127
(2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane
CID 10835500
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane
CID 10495766
5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
CID 67866640

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole (CID 154712277) is 3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole is c1ccc(CC2CCc3[nH]c4ccccc4c3C2COC2CCCCO2)cc1.
What is the InChIKey of 3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is HHBPBJUWXFLCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-2-8-18(9-3-1)16-19-13-14-23-25(20-10-4-5-11-22(20)26-23)21(19)17-28-24-12-6-7-15-27-24/h1-5,8-11,19,21,24,26H,6-7,12-17H2.
What are the key properties of 3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole?
3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 375.51 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(oxan-2-yloxymethyl)-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 154712277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).