6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one

C19H18O4 — CID 5316872

IUPAC6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one
SMILESCOc1cc2oc(CCc3ccccc3)cc(=O)c2cc1OC
InChIInChI=1S/C19H18O4/c1-21-18-11-15-16(20)10-14(23-17(15)12-19(18)22-2)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3
InChIKeyMVQOWXHYPYRBOE-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.60
Rot. Bonds5

About 6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one

6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one (PubChem CID 5316872) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one
PubChem CID5316872
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one
SMILESCOc1cc2oc(CCc3ccccc3)cc(=O)c2cc1OC
InChIInChI=1S/C19H18O4/c1-21-18-11-15-16(20)10-14(23-17(15)12-19(18)22-2)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3
InChIKeyMVQOWXHYPYRBOE-UHFFFAOYSA-N
XLogP3.60
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one?
The IUPAC name of 6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one (CID 5316872) is 6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one?
The canonical SMILES for 6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one is COc1cc2oc(CCc3ccccc3)cc(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one?
The InChIKey is MVQOWXHYPYRBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-21-18-11-15-16(20)10-14(23-17(15)12-19(18)22-2)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one?
6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one has a molecular weight of 310.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one is sourced from PubChem (CID 5316872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).