(6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C21H22O7 — CID 59838307

IUPAC(6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc2c(cc1OC)OCC(C(=O)c1cc(OC)c(OC)c(OC)c1)=C2
InChIInChI=1S/C21H22O7/c1-23-16-7-12-6-14(11-28-15(12)10-17(16)24-2)20(22)13-8-18(25-3)21(27-5)19(9-13)26-4/h6-10H,11H2,1-5H3
InChIKeyBEUHHJBFQIBRDU-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.39
Rot. Bonds7

About (6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 59838307) has the molecular formula C21H22O7 and a molecular weight of 386.40 g/mol. Its IUPAC name is (6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID59838307
Molecular FormulaC21H22O7
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name(6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc2c(cc1OC)OCC(C(=O)c1cc(OC)c(OC)c(OC)c1)=C2
InChIInChI=1S/C21H22O7/c1-23-16-7-12-6-14(11-28-15(12)10-17(16)24-2)20(22)13-8-18(25-3)21(27-5)19(9-13)26-4/h6-10H,11H2,1-5H3
InChIKeyBEUHHJBFQIBRDU-UHFFFAOYSA-N
XLogP3.39
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 59838307) is (6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc2c(cc1OC)OCC(C(=O)c1cc(OC)c(OC)c(OC)c1)=C2.
What is the InChIKey of (6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is BEUHHJBFQIBRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O7/c1-23-16-7-12-6-14(11-28-15(12)10-17(16)24-2)20(22)13-8-18(25-3)21(27-5)19(9-13)26-4/h6-10H,11H2,1-5H3.
What are the key properties of (6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 386.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 59838307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).