2-methoxy-5-methyl-3-phenylchromen-4-one

C17H14O3 — CID 141349160

IUPAC2-methoxy-5-methyl-3-phenylchromen-4-one
SMILESCOc1oc2cccc(C)c2c(=O)c1-c1ccccc1
InChIInChI=1S/C17H14O3/c1-11-7-6-10-13-14(11)16(18)15(17(19-2)20-13)12-8-4-3-5-9-12/h3-10H,1-2H3
InChIKeyGIKFHVQSGKOLHU-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.78
Rot. Bonds2

About 2-methoxy-5-methyl-3-phenylchromen-4-one

2-methoxy-5-methyl-3-phenylchromen-4-one (PubChem CID 141349160) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methoxy-5-methyl-3-phenylchromen-4-one.

Molecular Properties

Compound Name2-methoxy-5-methyl-3-phenylchromen-4-one
PubChem CID141349160
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name2-methoxy-5-methyl-3-phenylchromen-4-one
SMILESCOc1oc2cccc(C)c2c(=O)c1-c1ccccc1
InChIInChI=1S/C17H14O3/c1-11-7-6-10-13-14(11)16(18)15(17(19-2)20-13)12-8-4-3-5-9-12/h3-10H,1-2H3
InChIKeyGIKFHVQSGKOLHU-UHFFFAOYSA-N
XLogP3.78
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-3-phenylchromen-4-one?
The IUPAC name of 2-methoxy-5-methyl-3-phenylchromen-4-one (CID 141349160) is 2-methoxy-5-methyl-3-phenylchromen-4-one.
What is the SMILES notation for 2-methoxy-5-methyl-3-phenylchromen-4-one?
The canonical SMILES for 2-methoxy-5-methyl-3-phenylchromen-4-one is COc1oc2cccc(C)c2c(=O)c1-c1ccccc1.
What is the InChIKey of 2-methoxy-5-methyl-3-phenylchromen-4-one?
The InChIKey is GIKFHVQSGKOLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11-7-6-10-13-14(11)16(18)15(17(19-2)20-13)12-8-4-3-5-9-12/h3-10H,1-2H3.
What are the key properties of 2-methoxy-5-methyl-3-phenylchromen-4-one?
2-methoxy-5-methyl-3-phenylchromen-4-one has a molecular weight of 266.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-3-phenylchromen-4-one is sourced from PubChem (CID 141349160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).