6-ethyl-2-phenylchromen-4-one

C17H14O2 — CID 10999458

IUPAC6-ethyl-2-phenylchromen-4-one
SMILESCCc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C17H14O2/c1-2-12-8-9-16-14(10-12)15(18)11-17(19-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyILUYTTQELSQWNA-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.02
Rot. Bonds2

About 6-ethyl-2-phenylchromen-4-one

6-ethyl-2-phenylchromen-4-one (PubChem CID 10999458) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-ethyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-ethyl-2-phenylchromen-4-one
PubChem CID10999458
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name6-ethyl-2-phenylchromen-4-one
SMILESCCc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C17H14O2/c1-2-12-8-9-16-14(10-12)15(18)11-17(19-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyILUYTTQELSQWNA-UHFFFAOYSA-N
XLogP4.02
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-phenylchromen-4-one?
The IUPAC name of 6-ethyl-2-phenylchromen-4-one (CID 10999458) is 6-ethyl-2-phenylchromen-4-one.
What is the SMILES notation for 6-ethyl-2-phenylchromen-4-one?
The canonical SMILES for 6-ethyl-2-phenylchromen-4-one is CCc1ccc2oc(-c3ccccc3)cc(=O)c2c1.
What is the InChIKey of 6-ethyl-2-phenylchromen-4-one?
The InChIKey is ILUYTTQELSQWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-2-12-8-9-16-14(10-12)15(18)11-17(19-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3.
What are the key properties of 6-ethyl-2-phenylchromen-4-one?
6-ethyl-2-phenylchromen-4-one has a molecular weight of 250.30 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-phenylchromen-4-one is sourced from PubChem (CID 10999458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).