2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine

C21H21NO3 — CID 4677556

IUPAC2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine
SMILESCOc1ccc(-c2c/c(=N\CC3CCCO3)c3ccccc3o2)cc1
InChIInChI=1S/C21H21NO3/c1-23-16-10-8-15(9-11-16)21-13-19(22-14-17-5-4-12-24-17)18-6-2-3-7-20(18)25-21/h2-3,6-11,13,17H,4-5,12,14H2,1H3/b22-19+
InChIKeyLOYJDWJPMHJDHC-ZBJSNUHESA-N
MW335.40 g/mol
LogP4.19
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine

2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine (PubChem CID 4677556) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine
PubChem CID4677556
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine
SMILESCOc1ccc(-c2c/c(=N\CC3CCCO3)c3ccccc3o2)cc1
InChIInChI=1S/C21H21NO3/c1-23-16-10-8-15(9-11-16)21-13-19(22-14-17-5-4-12-24-17)18-6-2-3-7-20(18)25-21/h2-3,6-11,13,17H,4-5,12,14H2,1H3/b22-19+
InChIKeyLOYJDWJPMHJDHC-ZBJSNUHESA-N
XLogP4.19
TPSA43.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 5146613
2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine
CID 2325646
2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 20998852
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
1-[2-(4-methoxyphenyl)chromen-4-ylidene]piperidin-1-ium perchlorate
CID 86247105
2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine
CID 2008026
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136
(NZ)-N-[6-chloro-2-(4-methoxyphenyl)-7-methylchromen-4-ylidene]hydroxylamine
CID 7730715
N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline
CID 7730775
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 71876154

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine?
The IUPAC name of 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine (CID 4677556) is 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine is COc1ccc(-c2c/c(=N\CC3CCCO3)c3ccccc3o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine?
The InChIKey is LOYJDWJPMHJDHC-ZBJSNUHESA-N. The full InChI is InChI=1S/C21H21NO3/c1-23-16-10-8-15(9-11-16)21-13-19(22-14-17-5-4-12-24-17)18-6-2-3-7-20(18)25-21/h2-3,6-11,13,17H,4-5,12,14H2,1H3/b22-19+.
What are the key properties of 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine?
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine has a molecular weight of 335.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine is sourced from PubChem (CID 4677556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).