2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene

C20H24O5 — CID 22094936

IUPAC2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene
SMILESCOc1cc(OC)c2c(c1)OC(c1ccc(OC)c(OC)c1)C(C)C2
InChIInChI=1S/C20H24O5/c1-12-8-15-17(23-4)10-14(21-2)11-18(15)25-20(12)13-6-7-16(22-3)19(9-13)24-5/h6-7,9-12,20H,8H2,1-5H3
InChIKeyOVXZYOXOHVDGKL-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.03
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene

2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene (PubChem CID 22094936) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene
PubChem CID22094936
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene
SMILESCOc1cc(OC)c2c(c1)OC(c1ccc(OC)c(OC)c1)C(C)C2
InChIInChI=1S/C20H24O5/c1-12-8-15-17(23-4)10-14(21-2)11-18(15)25-20(12)13-6-7-16(22-3)19(9-13)24-5/h6-7,9-12,20H,8H2,1-5H3
InChIKeyOVXZYOXOHVDGKL-UHFFFAOYSA-N
XLogP4.03
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene (CID 22094936) is 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene is COc1cc(OC)c2c(c1)OC(c1ccc(OC)c(OC)c1)C(C)C2.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene?
The InChIKey is OVXZYOXOHVDGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-12-8-15-17(23-4)10-14(21-2)11-18(15)25-20(12)13-6-7-16(22-3)19(9-13)24-5/h6-7,9-12,20H,8H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene?
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene has a molecular weight of 344.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 22094936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).