2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid

C19H20O8 — CID 78056008

IUPAC2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid
SMILESCOc1cc(OC)c2c(c1)OC(c1ccc(OCC(=O)O)c(O)c1)C(O)C2
InChIInChI=1S/C19H20O8/c1-24-11-6-16(25-2)12-8-14(21)19(27-17(12)7-11)10-3-4-15(13(20)5-10)26-9-18(22)23/h3-7,14,19-21H,8-9H2,1-2H3,(H,22,23)
InChIKeyYQKIZGSFZXFKBJ-UHFFFAOYSA-N
MW376.36 g/mol
LogP1.91
Rot. Bonds6

About 2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid

2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid (PubChem CID 78056008) has the molecular formula C19H20O8 and a molecular weight of 376.36 g/mol. Its IUPAC name is 2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid
PubChem CID78056008
Molecular FormulaC19H20O8
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC Name2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid
SMILESCOc1cc(OC)c2c(c1)OC(c1ccc(OCC(=O)O)c(O)c1)C(O)C2
InChIInChI=1S/C19H20O8/c1-24-11-6-16(25-2)12-8-14(21)19(27-17(12)7-11)10-3-4-15(13(20)5-10)26-9-18(22)23/h3-7,14,19-21H,8-9H2,1-2H3,(H,22,23)
InChIKeyYQKIZGSFZXFKBJ-UHFFFAOYSA-N
XLogP1.91
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 102352404
(2R,3R)-5,7-dibutoxy-2-(4-butoxy-3-hydroxyphenyl)-3,4-dihydro-2H-chromen-3-ol
CID 71260096
(2S,3S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 86311085
[(2R,3R)-5-carboxyoxy-2-(3,4-dihydroxyphenyl)-3-hydroxy-3,4-dihydro-2H-chromen-7-yl] hydrogen carbonate
CID 118875747
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene
CID 22094936
[(2R,3R)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-5-yl] hydrogen sulfate
CID 71579213
azane;[(2R,3R)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-5-yl] hydrogen sulfate
CID 71579212
[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl] acetate
CID 102421449
2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 146393584
[(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 102092506
[(2R,3S)-2-(3,4-dihydroxyphenyl)-3-hydroxy-5-octanoyloxy-3,4-dihydro-2H-chromen-7-yl] octanoate
CID 69306453
3,4,5-trihydroxy-6-[2-methoxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid
CID 78054226

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid?
The IUPAC name of 2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid (CID 78056008) is 2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid is COc1cc(OC)c2c(c1)OC(c1ccc(OCC(=O)O)c(O)c1)C(O)C2.
What is the InChIKey of 2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid?
The InChIKey is YQKIZGSFZXFKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O8/c1-24-11-6-16(25-2)12-8-14(21)19(27-17(12)7-11)10-3-4-15(13(20)5-10)26-9-18(22)23/h3-7,14,19-21H,8-9H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid?
2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid has a molecular weight of 376.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid is sourced from PubChem (CID 78056008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).