4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one

C24H25NO3 — CID 88680364

IUPAC4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one
SMILESCc1cc(=O)oc2cc(OCCCC3CC(c4ccccc4)=CCN3)ccc12
InChIInChI=1S/C24H25NO3/c1-17-14-24(26)28-23-16-21(9-10-22(17)23)27-13-5-8-20-15-19(11-12-25-20)18-6-3-2-4-7-18/h2-4,6-7,9-11,14,16,20,25H,5,8,12-13,15H2,1H3
InChIKeyQYMZWOMUTWSGCW-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.71
Rot. Bonds6

About 4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one

4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one (PubChem CID 88680364) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one
PubChem CID88680364
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one
SMILESCc1cc(=O)oc2cc(OCCCC3CC(c4ccccc4)=CCN3)ccc12
InChIInChI=1S/C24H25NO3/c1-17-14-24(26)28-23-16-21(9-10-22(17)23)27-13-5-8-20-15-19(11-12-25-20)18-6-3-2-4-7-18/h2-4,6-7,9-11,14,16,20,25H,5,8,12-13,15H2,1H3
InChIKeyQYMZWOMUTWSGCW-UHFFFAOYSA-N
XLogP4.71
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one
CID 14014459
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
5-(4-methyl-2-oxochromen-7-yl)oxypentanenitrile
CID 60673473
(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7909541
7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one
CID 134816331
7-(5,6-dihydroxyhexoxy)-4-methylchromen-2-one
CID 89150777
4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one
CID 164886608
7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one
CID 164804491
3-(4-methyl-2-oxochromen-7-yl)oxypropyl prop-2-enoate
CID 166523791
4-methyl-7-[4-(1,2,4-triazol-1-yl)butoxy]chromen-2-one
CID 53320472
6-butoxy-4-methylchromen-2-one
CID 91726871
7-[3-(1-cyclohexyltetrazol-5-yl)propoxy]-4-methylchromen-2-one
CID 51057055

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one?
The IUPAC name of 4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one (CID 88680364) is 4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one.
What is the SMILES notation for 4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one?
The canonical SMILES for 4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one is Cc1cc(=O)oc2cc(OCCCC3CC(c4ccccc4)=CCN3)ccc12.
What is the InChIKey of 4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one?
The InChIKey is QYMZWOMUTWSGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-17-14-24(26)28-23-16-21(9-10-22(17)23)27-13-5-8-20-15-19(11-12-25-20)18-6-3-2-4-7-18/h2-4,6-7,9-11,14,16,20,25H,5,8,12-13,15H2,1H3.
What are the key properties of 4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one?
4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one has a molecular weight of 375.47 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propoxy]chromen-2-one is sourced from PubChem (CID 88680364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).