3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one

C19H20O5 — CID 4643334

IUPAC3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OCC(Cc1ccc(OC)c(OC)c1)C2=O
InChIInChI=1S/C19H20O5/c1-21-14-5-6-15-17(10-14)24-11-13(19(15)20)8-12-4-7-16(22-2)18(9-12)23-3/h4-7,9-10,13H,8,11H2,1-3H3
InChIKeyZRSCGBGNKZDPOF-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.15
Rot. Bonds5

About 3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one

3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one (PubChem CID 4643334) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one
PubChem CID4643334
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OCC(Cc1ccc(OC)c(OC)c1)C2=O
InChIInChI=1S/C19H20O5/c1-21-14-5-6-15-17(10-14)24-11-13(19(15)20)8-12-4-7-16(22-2)18(9-12)23-3/h4-7,9-10,13H,8,11H2,1-3H3
InChIKeyZRSCGBGNKZDPOF-UHFFFAOYSA-N
XLogP3.15
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one (CID 4643334) is 3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)OCC(Cc1ccc(OC)c(OC)c1)C2=O.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is ZRSCGBGNKZDPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-21-14-5-6-15-17(10-14)24-11-13(19(15)20)8-12-4-7-16(22-2)18(9-12)23-3/h4-7,9-10,13H,8,11H2,1-3H3.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one?
3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 328.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 4643334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).