5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene

C20H22O5 — CID 132501325

IUPAC5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene
SMILESCOc1ccc(CC2=Cc3c(cc(OC)c(OC)c3OC)OC2)cc1
InChIInChI=1S/C20H22O5/c1-21-15-7-5-13(6-8-15)9-14-10-16-17(25-12-14)11-18(22-2)20(24-4)19(16)23-3/h5-8,10-11H,9,12H2,1-4H3
InChIKeyMBDIZYMZEDJPEM-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.74
Rot. Bonds6

About 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene

5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene (PubChem CID 132501325) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene.

Molecular Properties

Compound Name5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene
PubChem CID132501325
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene
SMILESCOc1ccc(CC2=Cc3c(cc(OC)c(OC)c3OC)OC2)cc1
InChIInChI=1S/C20H22O5/c1-21-15-7-5-13(6-8-15)9-14-10-16-17(25-12-14)11-18(22-2)20(24-4)19(16)23-3/h5-8,10-11H,9,12H2,1-4H3
InChIKeyMBDIZYMZEDJPEM-UHFFFAOYSA-N
XLogP3.74
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclobuten-1-ylmethyl)-4-methoxybenzene
CID 101057270
(3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
CID 71712960
1,2,3,4-tetramethoxy-5-[(4-methoxyphenyl)methyl]-6-methylbenzene
CID 142654799
6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene
CID 70127065
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 171715581
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 30610505
5,6,7-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine
CID 11091031
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
[5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate
CID 132557913
1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 141151486
1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene
CID 10215306

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene?
The IUPAC name of 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene (CID 132501325) is 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene.
What is the SMILES notation for 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene?
The canonical SMILES for 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene is COc1ccc(CC2=Cc3c(cc(OC)c(OC)c3OC)OC2)cc1.
What is the InChIKey of 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene?
The InChIKey is MBDIZYMZEDJPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-21-15-7-5-13(6-8-15)9-14-10-16-17(25-12-14)11-18(22-2)20(24-4)19(16)23-3/h5-8,10-11H,9,12H2,1-4H3.
What are the key properties of 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene?
5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene has a molecular weight of 342.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene is sourced from PubChem (CID 132501325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).