2-phenylchromen-4-imine

C15H11NO — CID 7728986

IUPAC2-phenylchromen-4-imine
SMILES[H]/N=c1\cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H11NO/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10,16H/b16-13+
InChIKeyCZWXGGGSHATMTB-DTQAZKPQSA-N
MW221.26 g/mol
LogP3.58
Rot. Bonds1

About 2-phenylchromen-4-imine

2-phenylchromen-4-imine (PubChem CID 7728986) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-phenylchromen-4-imine.

Molecular Properties

Compound Name2-phenylchromen-4-imine
PubChem CID7728986
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name2-phenylchromen-4-imine
SMILES[H]/N=c1\cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H11NO/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10,16H/b16-13+
InChIKeyCZWXGGGSHATMTB-DTQAZKPQSA-N
XLogP3.58
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylchromen-4-imine?
The IUPAC name of 2-phenylchromen-4-imine (CID 7728986) is 2-phenylchromen-4-imine.
What is the SMILES notation for 2-phenylchromen-4-imine?
The canonical SMILES for 2-phenylchromen-4-imine is [H]/N=c1\cc(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 2-phenylchromen-4-imine?
The InChIKey is CZWXGGGSHATMTB-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H11NO/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10,16H/b16-13+.
What are the key properties of 2-phenylchromen-4-imine?
2-phenylchromen-4-imine has a molecular weight of 221.26 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylchromen-4-imine is sourced from PubChem (CID 7728986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).