7-(2-phenylethyl)chromen-2-one

C17H14O2 — CID 45485279

IUPAC7-(2-phenylethyl)chromen-2-one
SMILESO=c1ccc2ccc(CCc3ccccc3)cc2o1
InChIInChI=1S/C17H14O2/c18-17-11-10-15-9-8-14(12-16(15)19-17)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2
InChIKeyFQWWPSNGCTYUHH-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.58
Rot. Bonds3

About 7-(2-phenylethyl)chromen-2-one

7-(2-phenylethyl)chromen-2-one (PubChem CID 45485279) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 7-(2-phenylethyl)chromen-2-one.

Molecular Properties

Compound Name7-(2-phenylethyl)chromen-2-one
PubChem CID45485279
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name7-(2-phenylethyl)chromen-2-one
SMILESO=c1ccc2ccc(CCc3ccccc3)cc2o1
InChIInChI=1S/C17H14O2/c18-17-11-10-15-9-8-14(12-16(15)19-17)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2
InChIKeyFQWWPSNGCTYUHH-UHFFFAOYSA-N
XLogP3.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylethyl)chromen-2-one?
The IUPAC name of 7-(2-phenylethyl)chromen-2-one (CID 45485279) is 7-(2-phenylethyl)chromen-2-one.
What is the SMILES notation for 7-(2-phenylethyl)chromen-2-one?
The canonical SMILES for 7-(2-phenylethyl)chromen-2-one is O=c1ccc2ccc(CCc3ccccc3)cc2o1.
What is the InChIKey of 7-(2-phenylethyl)chromen-2-one?
The InChIKey is FQWWPSNGCTYUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c18-17-11-10-15-9-8-14(12-16(15)19-17)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2.
What are the key properties of 7-(2-phenylethyl)chromen-2-one?
7-(2-phenylethyl)chromen-2-one has a molecular weight of 250.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylethyl)chromen-2-one is sourced from PubChem (CID 45485279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).