4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one

C31H27NO5 — CID 108730429

IUPAC4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one
SMILESCc1cc(=O)oc2cc(OCC(=O)N3CCC4(C=Cc5cc(-c6ccccc6)ccc5O4)CC3)ccc12
InChIInChI=1S/C31H27NO5/c1-21-17-30(34)36-28-19-25(8-9-26(21)28)35-20-29(33)32-15-13-31(14-16-32)12-11-24-18-23(7-10-27(24)37-31)22-5-3-2-4-6-22/h2-12,17-19H,13-16,20H2,1H3
InChIKeyZJDPFKFSSMCDJW-UHFFFAOYSA-N
MW493.56 g/mol
LogP5.61
Rot. Bonds4

About 4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one

4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one (PubChem CID 108730429) has the molecular formula C31H27NO5 and a molecular weight of 493.56 g/mol. Its IUPAC name is 4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one
PubChem CID108730429
Molecular FormulaC31H27NO5
Molecular Weight493.56 g/mol
Exact Mass493.19
IUPAC Name4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one
SMILESCc1cc(=O)oc2cc(OCC(=O)N3CCC4(C=Cc5cc(-c6ccccc6)ccc5O4)CC3)ccc12
InChIInChI=1S/C31H27NO5/c1-21-17-30(34)36-28-19-25(8-9-26(21)28)35-20-29(33)32-15-13-31(14-16-32)12-11-24-18-23(7-10-27(24)37-31)22-5-3-2-4-6-22/h2-12,17-19H,13-16,20H2,1H3
InChIKeyZJDPFKFSSMCDJW-UHFFFAOYSA-N
XLogP5.61
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.56
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734544
(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7909541
N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide
CID 108730414
7-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 9020059
7-[2-(azocan-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
CID 8806120
7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
CID 7420701
7-[2-[4-[(dimethylamino)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethoxy]-4-ethylchromen-2-one
CID 171914852
7-[2-[8-(4-acetylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 3852542
4-methyl-7-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethoxy]chromen-2-one
CID 3630582
(2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone
CID 108754025
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one
CID 24627943

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one?
The IUPAC name of 4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one (CID 108730429) is 4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one.
What is the SMILES notation for 4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one?
The canonical SMILES for 4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one is Cc1cc(=O)oc2cc(OCC(=O)N3CCC4(C=Cc5cc(-c6ccccc6)ccc5O4)CC3)ccc12.
What is the InChIKey of 4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one?
The InChIKey is ZJDPFKFSSMCDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NO5/c1-21-17-30(34)36-28-19-25(8-9-26(21)28)35-20-29(33)32-15-13-31(14-16-32)12-11-24-18-23(7-10-27(24)37-31)22-5-3-2-4-6-22/h2-12,17-19H,13-16,20H2,1H3.
What are the key properties of 4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one?
4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one has a molecular weight of 493.56 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one is sourced from PubChem (CID 108730429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).