1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole

C26H24FNO2 — CID 156877312

IUPAC1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole
SMILESFc1ccc(-n2c(C3CCOCC3)cc3c(OCc4ccccc4)cccc32)cc1
InChIInChI=1S/C26H24FNO2/c27-21-9-11-22(12-10-21)28-24-7-4-8-26(30-18-19-5-2-1-3-6-19)23(24)17-25(28)20-13-15-29-16-14-20/h1-12,17,20H,13-16,18H2
InChIKeyDWROUMMIIJXMGH-UHFFFAOYSA-N
MW401.48 g/mol
LogP6.24
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole

1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole (PubChem CID 156877312) has the molecular formula C26H24FNO2 and a molecular weight of 401.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole
PubChem CID156877312
Molecular FormulaC26H24FNO2
Molecular Weight401.48 g/mol
Exact Mass401.18
IUPAC Name1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole
SMILESFc1ccc(-n2c(C3CCOCC3)cc3c(OCc4ccccc4)cccc32)cc1
InChIInChI=1S/C26H24FNO2/c27-21-9-11-22(12-10-21)28-24-7-4-8-26(30-18-19-5-2-1-3-6-19)23(24)17-25(28)20-13-15-29-16-14-20/h1-12,17,20H,13-16,18H2
InChIKeyDWROUMMIIJXMGH-UHFFFAOYSA-N
XLogP6.24
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.48
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole 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

4-Oxiranylmethoxy-9H-carbazole
CID 5020710
2,3-Dihydro-7-methoxyfuro[2,3-b]quinoline
CID 608484
YM-75440
CID 11372147
1-(9H-carbazol-4-yloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol
CID 46889810
5-(benzyloxy)-1,2-dimethyl-1H-indole
CID 975124
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]
CID 10027638
2-Methyl-5-[2-[4-[(3-pyrrolidin-1-ylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline
CID 10173443
5-Benzyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44351103
5-Benzyloxy-4,9-dihydro-3H-beta-carboline
CID 44358667
N-[[5-[3-(4-benzylpiperidin-1-yl)propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine
CID 53390337
1-Methyl-7-(3-fluorobenzyloxy)-9-(3-fluorobenzyl)-beta-carboline
CID 54766583
2-[(2-Fluorophenyl)methyl]-1-methyl-7-phenylmethoxy-9-propylpyrido[3,4-b]indol-2-ium bromide
CID 54767052

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole?
The IUPAC name of 1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole (CID 156877312) is 1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole?
The canonical SMILES for 1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole is Fc1ccc(-n2c(C3CCOCC3)cc3c(OCc4ccccc4)cccc32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole?
The InChIKey is DWROUMMIIJXMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO2/c27-21-9-11-22(12-10-21)28-24-7-4-8-26(30-18-19-5-2-1-3-6-19)23(24)17-25(28)20-13-15-29-16-14-20/h1-12,17,20H,13-16,18H2.
What are the key properties of 1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole?
1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole has a molecular weight of 401.48 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole is sourced from PubChem (CID 156877312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).