3-(4-ethoxybenzoyl)-2-phenylchromen-4-one

C24H18O4 — CID 134910996

IUPAC3-(4-ethoxybenzoyl)-2-phenylchromen-4-one
SMILESCCOc1ccc(C(=O)c2c(-c3ccccc3)oc3ccccc3c2=O)cc1
InChIInChI=1S/C24H18O4/c1-2-27-18-14-12-16(13-15-18)22(25)21-23(26)19-10-6-7-11-20(19)28-24(21)17-8-4-3-5-9-17/h3-15H,2H2,1H3
InChIKeyRRSSOVJKHCHJLZ-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.09
Rot. Bonds5

About 3-(4-ethoxybenzoyl)-2-phenylchromen-4-one

3-(4-ethoxybenzoyl)-2-phenylchromen-4-one (PubChem CID 134910996) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is 3-(4-ethoxybenzoyl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-(4-ethoxybenzoyl)-2-phenylchromen-4-one
PubChem CID134910996
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name3-(4-ethoxybenzoyl)-2-phenylchromen-4-one
SMILESCCOc1ccc(C(=O)c2c(-c3ccccc3)oc3ccccc3c2=O)cc1
InChIInChI=1S/C24H18O4/c1-2-27-18-14-12-16(13-15-18)22(25)21-23(26)19-10-6-7-11-20(19)28-24(21)17-8-4-3-5-9-17/h3-15H,2H2,1H3
InChIKeyRRSSOVJKHCHJLZ-UHFFFAOYSA-N
XLogP5.09
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxybenzoyl)-2-phenylchromen-4-one?
The IUPAC name of 3-(4-ethoxybenzoyl)-2-phenylchromen-4-one (CID 134910996) is 3-(4-ethoxybenzoyl)-2-phenylchromen-4-one.
What is the SMILES notation for 3-(4-ethoxybenzoyl)-2-phenylchromen-4-one?
The canonical SMILES for 3-(4-ethoxybenzoyl)-2-phenylchromen-4-one is CCOc1ccc(C(=O)c2c(-c3ccccc3)oc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-ethoxybenzoyl)-2-phenylchromen-4-one?
The InChIKey is RRSSOVJKHCHJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4/c1-2-27-18-14-12-16(13-15-18)22(25)21-23(26)19-10-6-7-11-20(19)28-24(21)17-8-4-3-5-9-17/h3-15H,2H2,1H3.
What are the key properties of 3-(4-ethoxybenzoyl)-2-phenylchromen-4-one?
3-(4-ethoxybenzoyl)-2-phenylchromen-4-one has a molecular weight of 370.40 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxybenzoyl)-2-phenylchromen-4-one is sourced from PubChem (CID 134910996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).