3-(4-methylphenyl)chromen-2-imine

C16H13NO — CID 10657405

IUPAC3-(4-methylphenyl)chromen-2-imine
SMILES[H]/N=c1\oc2ccccc2cc1-c1ccc(C)cc1
InChIInChI=1S/C16H13NO/c1-11-6-8-12(9-7-11)14-10-13-4-2-3-5-15(13)18-16(14)17/h2-10,17H,1H3/b17-16-
InChIKeyCQNSIYJQRYEARR-MSUUIHNZSA-N
MW235.29 g/mol
LogP3.89
Rot. Bonds1

About 3-(4-methylphenyl)chromen-2-imine

3-(4-methylphenyl)chromen-2-imine (PubChem CID 10657405) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(4-methylphenyl)chromen-2-imine.

Molecular Properties

Compound Name3-(4-methylphenyl)chromen-2-imine
PubChem CID10657405
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name3-(4-methylphenyl)chromen-2-imine
SMILES[H]/N=c1\oc2ccccc2cc1-c1ccc(C)cc1
InChIInChI=1S/C16H13NO/c1-11-6-8-12(9-7-11)14-10-13-4-2-3-5-15(13)18-16(14)17/h2-10,17H,1H3/b17-16-
InChIKeyCQNSIYJQRYEARR-MSUUIHNZSA-N
XLogP3.89
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)chromen-2-imine?
The IUPAC name of 3-(4-methylphenyl)chromen-2-imine (CID 10657405) is 3-(4-methylphenyl)chromen-2-imine.
What is the SMILES notation for 3-(4-methylphenyl)chromen-2-imine?
The canonical SMILES for 3-(4-methylphenyl)chromen-2-imine is [H]/N=c1\oc2ccccc2cc1-c1ccc(C)cc1.
What is the InChIKey of 3-(4-methylphenyl)chromen-2-imine?
The InChIKey is CQNSIYJQRYEARR-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H13NO/c1-11-6-8-12(9-7-11)14-10-13-4-2-3-5-15(13)18-16(14)17/h2-10,17H,1H3/b17-16-.
What are the key properties of 3-(4-methylphenyl)chromen-2-imine?
3-(4-methylphenyl)chromen-2-imine has a molecular weight of 235.29 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)chromen-2-imine is sourced from PubChem (CID 10657405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).