2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethylphenyl)iminochromen-6-ol

C24H19NO4 — CID 1427195

IUPAC2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethylphenyl)iminochromen-6-ol
SMILESCc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccc(O)cc23)cc1C
InChIInChI=1S/C24H19NO4/c1-14-3-5-17(9-15(14)2)25-20-12-23(29-21-8-6-18(26)11-19(20)21)16-4-7-22-24(10-16)28-13-27-22/h3-12,26H,13H2,1-2H3/b25-20+
InChIKeyUVKVPQYHJKKTTD-LKUDQCMESA-N
MW385.42 g/mol
LogP5.38
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethylphenyl)iminochromen-6-ol

2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethylphenyl)iminochromen-6-ol (PubChem CID 1427195) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethylphenyl)iminochromen-6-ol.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethylphenyl)iminochromen-6-ol
PubChem CID1427195
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethylphenyl)iminochromen-6-ol
SMILESCc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccc(O)cc23)cc1C
InChIInChI=1S/C24H19NO4/c1-14-3-5-17(9-15(14)2)25-20-12-23(29-21-8-6-18(26)11-19(20)21)16-4-7-22-24(10-16)28-13-27-22/h3-12,26H,13H2,1-2H3/b25-20+
InChIKeyUVKVPQYHJKKTTD-LKUDQCMESA-N
XLogP5.38
TPSA64.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethylphenyl)iminochromen-6-ol?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethylphenyl)iminochromen-6-ol (CID 1427195) is 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethylphenyl)iminochromen-6-ol.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethylphenyl)iminochromen-6-ol?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethylphenyl)iminochromen-6-ol is Cc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccc(O)cc23)cc1C.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethylphenyl)iminochromen-6-ol?
The InChIKey is UVKVPQYHJKKTTD-LKUDQCMESA-N. The full InChI is InChI=1S/C24H19NO4/c1-14-3-5-17(9-15(14)2)25-20-12-23(29-21-8-6-18(26)11-19(20)21)16-4-7-22-24(10-16)28-13-27-22/h3-12,26H,13H2,1-2H3/b25-20+.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethylphenyl)iminochromen-6-ol?
2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethylphenyl)iminochromen-6-ol has a molecular weight of 385.42 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethylphenyl)iminochromen-6-ol is sourced from PubChem (CID 1427195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).