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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Related Compounds

2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol
CID 5319689
2-(2,3-dihydro-1-benzofuran-2-yl)-4,6-dimethoxyphenol
CID 16679967
2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol
CID 101032427
(3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
CID 163043371
2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzoxepin-5-ol
CID 134869505
(6S,6aR,7S,10aR)-6-hydroxy-7-(2-methoxyphenyl)-6,6a,7,8,10,10a-hexahydrobenzo[c]chromen-9-one
CID 132557405
2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 85087212
2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 77131807
3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3478799
2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83044772
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 39237930
(2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 138963774

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).