6-phenylmethoxychromen-4-one

C16H12O3 — CID 10586897

IUPAC6-phenylmethoxychromen-4-one
SMILESO=c1ccoc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C16H12O3/c17-15-8-9-18-16-7-6-13(10-14(15)16)19-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyIGTIIYNFBAHPEJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.37
Rot. Bonds3

About 6-phenylmethoxychromen-4-one

6-phenylmethoxychromen-4-one (PubChem CID 10586897) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name6-phenylmethoxychromen-4-one
PubChem CID10586897
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name6-phenylmethoxychromen-4-one
SMILESO=c1ccoc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C16H12O3/c17-15-8-9-18-16-7-6-13(10-14(15)16)19-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyIGTIIYNFBAHPEJ-UHFFFAOYSA-N
XLogP3.37
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxychromen-4-one?
The IUPAC name of 6-phenylmethoxychromen-4-one (CID 10586897) is 6-phenylmethoxychromen-4-one.
What is the SMILES notation for 6-phenylmethoxychromen-4-one?
The canonical SMILES for 6-phenylmethoxychromen-4-one is O=c1ccoc2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 6-phenylmethoxychromen-4-one?
The InChIKey is IGTIIYNFBAHPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-15-8-9-18-16-7-6-13(10-14(15)16)19-11-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 6-phenylmethoxychromen-4-one?
6-phenylmethoxychromen-4-one has a molecular weight of 252.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxychromen-4-one is sourced from PubChem (CID 10586897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).