ethane;3-phenylchromen-4-one

C19H22O2 — CID 90946880

IUPACethane;3-phenylchromen-4-one
SMILESCC.CC.O=c1c(-c2ccccc2)coc2ccccc12
InChIInChI=1S/C15H10O2.2C2H6/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11;2*1-2/h1-10H;2*1-2H3
InChIKeyGSYMYANMINLMLP-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.51
Rot. Bonds1

About ethane;3-phenylchromen-4-one

ethane;3-phenylchromen-4-one (PubChem CID 90946880) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is ethane;3-phenylchromen-4-one.

Molecular Properties

Compound Nameethane;3-phenylchromen-4-one
PubChem CID90946880
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Nameethane;3-phenylchromen-4-one
SMILESCC.CC.O=c1c(-c2ccccc2)coc2ccccc12
InChIInChI=1S/C15H10O2.2C2H6/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11;2*1-2/h1-10H;2*1-2H3
InChIKeyGSYMYANMINLMLP-UHFFFAOYSA-N
XLogP5.51
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;3-phenylchromen-4-one?
The IUPAC name of ethane;3-phenylchromen-4-one (CID 90946880) is ethane;3-phenylchromen-4-one.
What is the SMILES notation for ethane;3-phenylchromen-4-one?
The canonical SMILES for ethane;3-phenylchromen-4-one is CC.CC.O=c1c(-c2ccccc2)coc2ccccc12.
What is the InChIKey of ethane;3-phenylchromen-4-one?
The InChIKey is GSYMYANMINLMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2.2C2H6/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11;2*1-2/h1-10H;2*1-2H3.
What are the key properties of ethane;3-phenylchromen-4-one?
ethane;3-phenylchromen-4-one has a molecular weight of 282.38 g/mol, XLogP of 5.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-phenylchromen-4-one is sourced from PubChem (CID 90946880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).