7-(2-phenylphenoxy)chromen-2-one

C21H14O3 — CID 168853409

IUPAC7-(2-phenylphenoxy)chromen-2-one
SMILESO=c1ccc2ccc(Oc3ccccc3-c3ccccc3)cc2o1
InChIInChI=1S/C21H14O3/c22-21-13-11-16-10-12-17(14-20(16)24-21)23-19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-14H
InChIKeySUHZEOKIHYHWTO-UHFFFAOYSA-N
MW314.34 g/mol
LogP5.25
Rot. Bonds3

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

7-(2-phenylphenoxy)chromen-2-one (PubChem CID 168853409) has the molecular formula C21H14O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 7-(2-phenylphenoxy)chromen-2-one.

Molecular Properties

Compound Name7-(2-phenylphenoxy)chromen-2-one
PubChem CID168853409
Molecular FormulaC21H14O3
Molecular Weight314.34 g/mol
Exact Mass314.09
IUPAC Name7-(2-phenylphenoxy)chromen-2-one
SMILESO=c1ccc2ccc(Oc3ccccc3-c3ccccc3)cc2o1
InChIInChI=1S/C21H14O3/c22-21-13-11-16-10-12-17(14-20(16)24-21)23-19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-14H
InChIKeySUHZEOKIHYHWTO-UHFFFAOYSA-N
XLogP5.25
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.34
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-oxochromen-7-yl) 2-phenylbenzenesulfonate
CID 52565426
(2-oxochromen-7-yl) hypoiodite
CID 138751183
7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one
CID 10925304
2-phenylfuro[3,2-g]chromen-7-one
CID 102313013
(2R)-2-(2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 905948
potassium (2-oxochromen-7-yl) sulfate
CID 46781774
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
7-ethynoxychromen-2-one
CID 167427809
2-amino-4-(2-phenylphenoxy)benzoic acid
CID 175030921
5-phenylchromen-2-one
CID 90255348
7-hydroxy-6-(2-hydroxyphenoxy)chromen-2-one
CID 163056990
7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one
CID 7233626

Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylphenoxy)chromen-2-one?
The IUPAC name of 7-(2-phenylphenoxy)chromen-2-one (CID 168853409) is 7-(2-phenylphenoxy)chromen-2-one.
What is the SMILES notation for 7-(2-phenylphenoxy)chromen-2-one?
The canonical SMILES for 7-(2-phenylphenoxy)chromen-2-one is O=c1ccc2ccc(Oc3ccccc3-c3ccccc3)cc2o1.
What is the InChIKey of 7-(2-phenylphenoxy)chromen-2-one?
The InChIKey is SUHZEOKIHYHWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3/c22-21-13-11-16-10-12-17(14-20(16)24-21)23-19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-14H.
What are the key properties of 7-(2-phenylphenoxy)chromen-2-one?
7-(2-phenylphenoxy)chromen-2-one has a molecular weight of 314.34 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylphenoxy)chromen-2-one is sourced from PubChem (CID 168853409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).