(2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol

C18H20O6 — CID 14080194

IUPAC(2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
SMILESCOc1ccc([C@H]2Oc3cc(OC)cc(OC)c3[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C18H20O6/c1-21-11-6-4-10(5-7-11)18-17(20)16(19)15-13(23-3)8-12(22-2)9-14(15)24-18/h4-9,16-20H,1-3H3/t16-,17+,18-/m1/s1
InChIKeyPGWNAUWORYYLLS-FGTMMUONSA-N
MW332.35 g/mol
LogP2.24
Rot. Bonds4

About (2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol

(2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol (PubChem CID 14080194) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is (2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
PubChem CID14080194
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name(2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
SMILESCOc1ccc([C@H]2Oc3cc(OC)cc(OC)c3[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C18H20O6/c1-21-11-6-4-10(5-7-11)18-17(20)16(19)15-13(23-3)8-12(22-2)9-14(15)24-18/h4-9,16-20H,1-3H3/t16-,17+,18-/m1/s1
InChIKeyPGWNAUWORYYLLS-FGTMMUONSA-N
XLogP2.24
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,4-diol
CID 14991958
(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-(2,4,6-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 10599886
(2S,3S)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 154496184
(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10403456
(2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
CID 11002087
(2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 10755627
[(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 102092506
(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 5314855
2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol
CID 14275083
1,3,6,8-tetramethoxy-5,10-bis(4-methoxyphenyl)-5,10-dihydroindeno[2,1-a]indene
CID 102287735
3,5-dihydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 14707089
methyl (2S,3S)-3-(3,5-dimethoxyphenyl)-6-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-4-carboxylate
CID 135029014

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol?
The IUPAC name of (2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol (CID 14080194) is (2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol?
The canonical SMILES for (2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol is COc1ccc([C@H]2Oc3cc(OC)cc(OC)c3[C@@H](O)[C@@H]2O)cc1.
What is the InChIKey of (2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol?
The InChIKey is PGWNAUWORYYLLS-FGTMMUONSA-N. The full InChI is InChI=1S/C18H20O6/c1-21-11-6-4-10(5-7-11)18-17(20)16(19)15-13(23-3)8-12(22-2)9-14(15)24-18/h4-9,16-20H,1-3H3/t16-,17+,18-/m1/s1.
What are the key properties of (2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol?
(2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol has a molecular weight of 332.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol is sourced from PubChem (CID 14080194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).