2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-ol

C19H22O6 — CID 596533

IUPAC2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1cc(OC)c2c(c1)OC(c1ccc(OC)c(OC)c1)CC2O
InChIInChI=1S/C19H22O6/c1-21-12-8-17(24-4)19-13(20)10-15(25-18(19)9-12)11-5-6-14(22-2)16(7-11)23-3/h5-9,13,15,20H,10H2,1-4H3
InChIKeyAPLKIOPSKVXHFK-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.28
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-ol

2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 596533) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID596533
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1cc(OC)c2c(c1)OC(c1ccc(OC)c(OC)c1)CC2O
InChIInChI=1S/C19H22O6/c1-21-12-8-17(24-4)19-13(20)10-15(25-18(19)9-12)11-5-6-14(22-2)16(7-11)23-3/h5-9,13,15,20H,10H2,1-4H3
InChIKeyAPLKIOPSKVXHFK-UHFFFAOYSA-N
XLogP3.28
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-ol (CID 596533) is 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-ol is COc1cc(OC)c2c(c1)OC(c1ccc(OC)c(OC)c1)CC2O.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is APLKIOPSKVXHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6/c1-21-12-8-17(24-4)19-13(20)10-15(25-18(19)9-12)11-5-6-14(22-2)16(7-11)23-3/h5-9,13,15,20H,10H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-ol?
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 346.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 596533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).