3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol

C24H24BrNO2 — CID 18676477

IUPAC3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol
SMILESOCCC(c1cccc(Br)c1)N1CCc2cccc(OCc3ccccc3)c21
InChIInChI=1S/C24H24BrNO2/c25-21-10-4-9-20(16-21)22(13-15-27)26-14-12-19-8-5-11-23(24(19)26)28-17-18-6-2-1-3-7-18/h1-11,16,22,27H,12-15,17H2
InChIKeyFJDVOGASBFCAHY-UHFFFAOYSA-N
MW438.37 g/mol
LogP5.51
Rot. Bonds7

About 3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol

3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol (PubChem CID 18676477) has the molecular formula C24H24BrNO2 and a molecular weight of 438.37 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol
PubChem CID18676477
Molecular FormulaC24H24BrNO2
Molecular Weight438.37 g/mol
Exact Mass437.10
IUPAC Name3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol
SMILESOCCC(c1cccc(Br)c1)N1CCc2cccc(OCc3ccccc3)c21
InChIInChI=1S/C24H24BrNO2/c25-21-10-4-9-20(16-21)22(13-15-27)26-14-12-19-8-5-11-23(24(19)26)28-17-18-6-2-1-3-7-18/h1-11,16,22,27H,12-15,17H2
InChIKeyFJDVOGASBFCAHY-UHFFFAOYSA-N
XLogP5.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol 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

1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole
CID 54488605
(3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189208
(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189657
3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-amine
CID 130246784
7-bromo-3-methyl-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine
CID 91591578
1-[(3-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 4271499
2-(3-bromophenyl)-2-phenylethanol
CID 118542656
2-(5-bromo-2-phenylmethoxyphenyl)propane-1,3-diol
CID 156555917
2,2-diphenyl-1-(4-phenylmethoxy-2,3-dihydroindol-1-yl)ethanone
CID 174849042
2-[2-[(3-bromophenyl)methoxy]phenyl]acetic acid
CID 80742211
2,3-dihydroindol-1-yl-(2-phenylmethoxyphenyl)methanone
CID 4946349
tert-butyl 1-[(3-bromophenyl)methyl]-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 70316514

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol?
The IUPAC name of 3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol (CID 18676477) is 3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol?
The canonical SMILES for 3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol is OCCC(c1cccc(Br)c1)N1CCc2cccc(OCc3ccccc3)c21.
What is the InChIKey of 3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol?
The InChIKey is FJDVOGASBFCAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO2/c25-21-10-4-9-20(16-21)22(13-15-27)26-14-12-19-8-5-11-23(24(19)26)28-17-18-6-2-1-3-7-18/h1-11,16,22,27H,12-15,17H2.
What are the key properties of 3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol?
3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol has a molecular weight of 438.37 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol is sourced from PubChem (CID 18676477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).