3-methoxy-2-phenyl-2,3-dihydrochromen-4-one

C16H14O3 — CID 14713900

IUPAC3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOC1C(=O)c2ccccc2OC1c1ccccc1
InChIInChI=1S/C16H14O3/c1-18-16-14(17)12-9-5-6-10-13(12)19-15(16)11-7-3-2-4-8-11/h2-10,15-16H,1H3
InChIKeyHXYHRDDLFASFDH-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.02
Rot. Bonds2

About 3-methoxy-2-phenyl-2,3-dihydrochromen-4-one

3-methoxy-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 14713900) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-methoxy-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID14713900
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOC1C(=O)c2ccccc2OC1c1ccccc1
InChIInChI=1S/C16H14O3/c1-18-16-14(17)12-9-5-6-10-13(12)19-15(16)11-7-3-2-4-8-11/h2-10,15-16H,1H3
InChIKeyHXYHRDDLFASFDH-UHFFFAOYSA-N
XLogP3.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-methoxy-2-phenyl-2,3-dihydrochromen-4-one (CID 14713900) is 3-methoxy-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-methoxy-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-methoxy-2-phenyl-2,3-dihydrochromen-4-one is COC1C(=O)c2ccccc2OC1c1ccccc1.
What is the InChIKey of 3-methoxy-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is HXYHRDDLFASFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-18-16-14(17)12-9-5-6-10-13(12)19-15(16)11-7-3-2-4-8-11/h2-10,15-16H,1H3.
What are the key properties of 3-methoxy-2-phenyl-2,3-dihydrochromen-4-one?
3-methoxy-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 254.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 14713900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).