2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one

C25H20O2 — CID 58451608

IUPAC2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one
SMILESCc1cccc(/C=C/c2oc3ccccc3c(=O)c2-c2ccccc2)c1C
InChIInChI=1S/C25H20O2/c1-17-9-8-12-19(18(17)2)15-16-23-24(20-10-4-3-5-11-20)25(26)21-13-6-7-14-22(21)27-23/h3-16H,1-2H3/b16-15+
InChIKeyFPOGELKHXXYJGP-FOCLMDBBSA-N
MW352.43 g/mol
LogP6.25
Rot. Bonds3

About 2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one

2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one (PubChem CID 58451608) has the molecular formula C25H20O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one.

Molecular Properties

Compound Name2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one
PubChem CID58451608
Molecular FormulaC25H20O2
Molecular Weight352.43 g/mol
Exact Mass352.15
IUPAC Name2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one
SMILESCc1cccc(/C=C/c2oc3ccccc3c(=O)c2-c2ccccc2)c1C
InChIInChI=1S/C25H20O2/c1-17-9-8-12-19(18(17)2)15-16-23-24(20-10-4-3-5-11-20)25(26)21-13-6-7-14-22(21)27-23/h3-16H,1-2H3/b16-15+
InChIKeyFPOGELKHXXYJGP-FOCLMDBBSA-N
XLogP6.25
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one?
The IUPAC name of 2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one (CID 58451608) is 2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one.
What is the SMILES notation for 2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one?
The canonical SMILES for 2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one is Cc1cccc(/C=C/c2oc3ccccc3c(=O)c2-c2ccccc2)c1C.
What is the InChIKey of 2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one?
The InChIKey is FPOGELKHXXYJGP-FOCLMDBBSA-N. The full InChI is InChI=1S/C25H20O2/c1-17-9-8-12-19(18(17)2)15-16-23-24(20-10-4-3-5-11-20)25(26)21-13-6-7-14-22(21)27-23/h3-16H,1-2H3/b16-15+.
What are the key properties of 2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one?
2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one has a molecular weight of 352.43 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one is sourced from PubChem (CID 58451608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).