2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine

C24H27NO4 — CID 20998852

IUPAC2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine
SMILESCOc1ccc(-c2c/c(=N\CC3CCCO3)c3c(C)cc(C)cc3o2)cc1OC
InChIInChI=1S/C24H27NO4/c1-15-10-16(2)24-19(25-14-18-6-5-9-28-18)13-21(29-23(24)11-15)17-7-8-20(26-3)22(12-17)27-4/h7-8,10-13,18H,5-6,9,14H2,1-4H3/b25-19+
InChIKeyRWNRSIULJIALHC-NCELDCMTSA-N
MW393.48 g/mol
LogP4.81
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine

2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine (PubChem CID 20998852) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine
PubChem CID20998852
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine
SMILESCOc1ccc(-c2c/c(=N\CC3CCCO3)c3c(C)cc(C)cc3o2)cc1OC
InChIInChI=1S/C24H27NO4/c1-15-10-16(2)24-19(25-14-18-6-5-9-28-18)13-21(29-23(24)11-15)17-7-8-20(26-3)22(12-17)27-4/h7-8,10-13,18H,5-6,9,14H2,1-4H3/b25-19+
InChIKeyRWNRSIULJIALHC-NCELDCMTSA-N
XLogP4.81
TPSA53.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine
CID 6871166
2-[2-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]ethoxy]ethanol
CID 7729855
2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine
CID 7729859
6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 5146613
2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine
CID 7729878
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 4677556
[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate
CID 20998205
(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine
CID 20998887
4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide
CID 20998884
methyl 2-[(E)-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 20998888
N-[N-(3,4-dimethoxyphenyl)-N'-[[(2R)-oxolan-2-yl]methyl]carbamimidoyl]-4-methylbenzamide
CID 94090316
2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one
CID 1413436

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine (CID 20998852) is 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine is COc1ccc(-c2c/c(=N\CC3CCCO3)c3c(C)cc(C)cc3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine?
The InChIKey is RWNRSIULJIALHC-NCELDCMTSA-N. The full InChI is InChI=1S/C24H27NO4/c1-15-10-16(2)24-19(25-14-18-6-5-9-28-18)13-21(29-23(24)11-15)17-7-8-20(26-3)22(12-17)27-4/h7-8,10-13,18H,5-6,9,14H2,1-4H3/b25-19+.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine?
2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine has a molecular weight of 393.48 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine is sourced from PubChem (CID 20998852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).