(2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone

C26H22BrNO2 — CID 108754025

IUPAC(2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCC2(C=Cc3cc(-c4ccccc4)ccc3O2)CC1
InChIInChI=1S/C26H22BrNO2/c27-23-9-5-4-8-22(23)25(29)28-16-14-26(15-17-28)13-12-21-18-20(10-11-24(21)30-26)19-6-2-1-3-7-19/h1-13,18H,14-17H2
InChIKeyOFCUWMBIBBGTJD-UHFFFAOYSA-N
MW460.37 g/mol
LogP6.20
Rot. Bonds2

About (2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone

(2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone (PubChem CID 108754025) has the molecular formula C26H22BrNO2 and a molecular weight of 460.37 g/mol. Its IUPAC name is (2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone
PubChem CID108754025
Molecular FormulaC26H22BrNO2
Molecular Weight460.37 g/mol
Exact Mass459.08
IUPAC Name(2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCC2(C=Cc3cc(-c4ccccc4)ccc3O2)CC1
InChIInChI=1S/C26H22BrNO2/c27-23-9-5-4-8-22(23)25(29)28-16-14-26(15-17-28)13-12-21-18-20(10-11-24(21)30-26)19-6-2-1-3-7-19/h1-13,18H,14-17H2
InChIKeyOFCUWMBIBBGTJD-UHFFFAOYSA-N
XLogP6.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.37
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone 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

N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide
CID 108730414
3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)benzonitrile
CID 108730474
N-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide
CID 108730468
3-chloro-2,2-dimethyl-1-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-one
CID 108754007
2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione
CID 108754046
(E)-3-(2-chlorophenyl)-1-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)prop-2-en-1-one
CID 108754055
2-[4-oxo-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)butyl]isoindole-1,3-dione
CID 108754045
1-(3,4-dimethylphenyl)-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)butane-1,4-dione
CID 108730448
3-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-pyridin-2-one
CID 95127743
2-(spiro[azepane-4,2'-chromene]-1-carbonyl)benzonitrile
CID 50964126
2-(3-oxo-3-spiro[chromene-2,4'-piperidine]-1'-ylpropyl)benzoic acid
CID 167949320
1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758307

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone (CID 108754025) is (2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone is O=C(c1ccccc1Br)N1CCC2(C=Cc3cc(-c4ccccc4)ccc3O2)CC1.
What is the InChIKey of (2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone?
The InChIKey is OFCUWMBIBBGTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrNO2/c27-23-9-5-4-8-22(23)25(29)28-16-14-26(15-17-28)13-12-21-18-20(10-11-24(21)30-26)19-6-2-1-3-7-19/h1-13,18H,14-17H2.
What are the key properties of (2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone?
(2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone has a molecular weight of 460.37 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 108754025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).