3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol

C17H18O5 — CID 156700370

IUPAC3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cccc(C2COc3cc(O)ccc3C2OC)c1O
InChIInChI=1S/C17H18O5/c1-20-14-5-3-4-11(16(14)19)13-9-22-15-8-10(18)6-7-12(15)17(13)21-2/h3-8,13,17-19H,9H2,1-2H3
InChIKeyGBSYANNBCLNPOA-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.97
Rot. Bonds3

About 3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol

3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol (PubChem CID 156700370) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol
PubChem CID156700370
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cccc(C2COc3cc(O)ccc3C2OC)c1O
InChIInChI=1S/C17H18O5/c1-20-14-5-3-4-11(16(14)19)13-9-22-15-8-10(18)6-7-12(15)17(13)21-2/h3-8,13,17-19H,9H2,1-2H3
InChIKeyGBSYANNBCLNPOA-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol (CID 156700370) is 3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol is COc1cccc(C2COc3cc(O)ccc3C2OC)c1O.
What is the InChIKey of 3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is GBSYANNBCLNPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-20-14-5-3-4-11(16(14)19)13-9-22-15-8-10(18)6-7-12(15)17(13)21-2/h3-8,13,17-19H,9H2,1-2H3.
What are the key properties of 3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol?
3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 302.33 g/mol, XLogP of 2.97, 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-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 156700370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).