3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol

C17H18O5 — CID 175983672

IUPAC3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol
SMILESCOc1ccc(C2Cc3ccccc3OC2O)c(O)c1OC
InChIInChI=1S/C17H18O5/c1-20-14-8-7-11(15(18)16(14)21-2)12-9-10-5-3-4-6-13(10)22-17(12)19/h3-8,12,17-19H,9H2,1-2H3
InChIKeyAFRXOUPDDDXEIL-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.45
Rot. Bonds3

About 3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol

3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol (PubChem CID 175983672) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol.

Molecular Properties

Compound Name3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol
PubChem CID175983672
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol
SMILESCOc1ccc(C2Cc3ccccc3OC2O)c(O)c1OC
InChIInChI=1S/C17H18O5/c1-20-14-8-7-11(15(18)16(14)21-2)12-9-10-5-3-4-6-13(10)22-17(12)19/h3-8,12,17-19H,9H2,1-2H3
InChIKeyAFRXOUPDDDXEIL-UHFFFAOYSA-N
XLogP2.45
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol?
The IUPAC name of 3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol (CID 175983672) is 3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol.
What is the SMILES notation for 3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol?
The canonical SMILES for 3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol is COc1ccc(C2Cc3ccccc3OC2O)c(O)c1OC.
What is the InChIKey of 3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol?
The InChIKey is AFRXOUPDDDXEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-20-14-8-7-11(15(18)16(14)21-2)12-9-10-5-3-4-6-13(10)22-17(12)19/h3-8,12,17-19H,9H2,1-2H3.
What are the key properties of 3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol?
3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol has a molecular weight of 302.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol is sourced from PubChem (CID 175983672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).