(2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium

C25H24NO2+ — CID 3557993

IUPAC(2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium
SMILESCOc1ccc(-c2c/c(=[NH+]\c3cccc(C)c3C)c3cc(C)ccc3o2)cc1
InChIInChI=1S/C25H23NO2/c1-16-8-13-24-21(14-16)23(26-22-7-5-6-17(2)18(22)3)15-25(28-24)19-9-11-20(27-4)12-10-19/h5-15H,1-4H3/p+1/b26-23+
InChIKeyQCPPCESLRZCPIJ-WNAAXNPUSA-O
MW370.47 g/mol
LogP4.35
Rot. Bonds3

About (2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium

(2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium (PubChem CID 3557993) has the molecular formula C25H24NO2+ and a molecular weight of 370.47 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium
PubChem CID3557993
Molecular FormulaC25H24NO2+
Molecular Weight370.47 g/mol
Exact Mass370.18
IUPAC Name(2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium
SMILESCOc1ccc(-c2c/c(=[NH+]\c3cccc(C)c3C)c3cc(C)ccc3o2)cc1
InChIInChI=1S/C25H23NO2/c1-16-8-13-24-21(14-16)23(26-22-7-5-6-17(2)18(22)3)15-25(28-24)19-9-11-20(27-4)12-10-19/h5-15H,1-4H3/p+1/b26-23+
InChIKeyQCPPCESLRZCPIJ-WNAAXNPUSA-O
XLogP4.35
TPSA36.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
CID 1181688
[6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium
CID 46500342
[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxyphenyl]-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium tetrafluoroborate
CID 20997937
6-methoxy-2-(4-methylphenyl)chromene-4-thione
CID 100960680
[4-[4-(1,3-dioxoisoindol-2-yl)butanoyloxy]phenyl]-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium tetrafluoroborate
CID 20997939
(3-chlorophenyl)-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 20997947
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate
CID 20999011
(3-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411881
(3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411877
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran
CID 141261100
(4-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411882
2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methylchromen-4-imine
CID 2239413

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium?
The IUPAC name of (2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium (CID 3557993) is (2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium.
What is the SMILES notation for (2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium?
The canonical SMILES for (2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium is COc1ccc(-c2c/c(=[NH+]\c3cccc(C)c3C)c3cc(C)ccc3o2)cc1.
What is the InChIKey of (2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium?
The InChIKey is QCPPCESLRZCPIJ-WNAAXNPUSA-O. The full InChI is InChI=1S/C25H23NO2/c1-16-8-13-24-21(14-16)23(26-22-7-5-6-17(2)18(22)3)15-25(28-24)19-9-11-20(27-4)12-10-19/h5-15H,1-4H3/p+1/b26-23+.
What are the key properties of (2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium?
(2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium has a molecular weight of 370.47 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium is sourced from PubChem (CID 3557993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).