1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole

C24H22BrNO — CID 54488605

IUPAC1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole
SMILESC=C[C@H](c1cccc(Br)c1)N1CCc2cccc(OCc3ccccc3)c21
InChIInChI=1S/C24H22BrNO/c1-2-22(20-11-6-12-21(25)16-20)26-15-14-19-10-7-13-23(24(19)26)27-17-18-8-4-3-5-9-18/h2-13,16,22H,1,14-15,17H2/t22-/m1/s1
InChIKeyXUDNFDWEROCTPK-JOCHJYFZSA-N
MW420.35 g/mol
LogP6.32
Rot. Bonds6

About 1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole

1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole (PubChem CID 54488605) has the molecular formula C24H22BrNO and a molecular weight of 420.35 g/mol. Its IUPAC name is 1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole
PubChem CID54488605
Molecular FormulaC24H22BrNO
Molecular Weight420.35 g/mol
Exact Mass419.09
IUPAC Name1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole
SMILESC=C[C@H](c1cccc(Br)c1)N1CCc2cccc(OCc3ccccc3)c21
InChIInChI=1S/C24H22BrNO/c1-2-22(20-11-6-12-21(25)16-20)26-15-14-19-10-7-13-23(24(19)26)27-17-18-8-4-3-5-9-18/h2-13,16,22H,1,14-15,17H2/t22-/m1/s1
InChIKeyXUDNFDWEROCTPK-JOCHJYFZSA-N
XLogP6.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.35
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromophenyl)-3-(7-phenylmethoxy-2,3-dihydroindol-1-yl)propan-1-ol
CID 18676477
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-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine
CID 171282129
1-[(3-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 4271499
4-methoxy-1-(1-phenylprop-2-enyl)-2,3-dihydroindole
CID 18428418
3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 19655678
3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropanal
CID 18357288
(1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 27155496
[2-[(3-bromophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530074
1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine
CID 171282960
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 1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole?
The IUPAC name of 1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole (CID 54488605) is 1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole.
What is the SMILES notation for 1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole?
The canonical SMILES for 1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole is C=C[C@H](c1cccc(Br)c1)N1CCc2cccc(OCc3ccccc3)c21.
What is the InChIKey of 1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole?
The InChIKey is XUDNFDWEROCTPK-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H22BrNO/c1-2-22(20-11-6-12-21(25)16-20)26-15-14-19-10-7-13-23(24(19)26)27-17-18-8-4-3-5-9-18/h2-13,16,22H,1,14-15,17H2/t22-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole?
1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole has a molecular weight of 420.35 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-bromophenyl)prop-2-enyl]-7-phenylmethoxy-2,3-dihydroindole is sourced from PubChem (CID 54488605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).