(3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol

C18H20O6 — CID 14522837

IUPAC(3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol
SMILESCOc1cc(C[C@@]2(O)COc3cc(O)ccc3[C@H]2OC)ccc1O
InChIInChI=1S/C18H20O6/c1-22-16-7-11(3-6-14(16)20)9-18(21)10-24-15-8-12(19)4-5-13(15)17(18)23-2/h3-8,17,19-21H,9-10H2,1-2H3/t17-,18-/m1/s1
InChIKeyYKESZSLDFNFOLO-QZTJIDSGSA-N
MW332.35 g/mol
LogP2.16
Rot. Bonds4

About (3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol

(3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol (PubChem CID 14522837) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is (3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol.

Molecular Properties

Compound Name(3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol
PubChem CID14522837
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name(3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol
SMILESCOc1cc(C[C@@]2(O)COc3cc(O)ccc3[C@H]2OC)ccc1O
InChIInChI=1S/C18H20O6/c1-22-16-7-11(3-6-14(16)20)9-18(21)10-24-15-8-12(19)4-5-13(15)17(18)23-2/h3-8,17,19-21H,9-10H2,1-2H3/t17-,18-/m1/s1
InChIKeyYKESZSLDFNFOLO-QZTJIDSGSA-N
XLogP2.16
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4S)-3-[(3,4-dihydroxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol
CID 166642661
(3S,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2,4-dihydrochromene-3,4,7-triol
CID 162989813
(3R)-3-[(3,4-dimethoxyphenyl)methyl]-3,7-dihydroxy-2H-chromen-4-one
CID 102319604
3,5-dihydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2H-chromen-4-one
CID 162974811
5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol
CID 586733
4-[[(3aR,9bR)-7-hydroxy-2,2-dimethyl-4,9b-dihydro-[1,3]dioxolo[4,5-c]chromen-3a-yl]methyl]benzene-1,2-diol
CID 162878205
4-[[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxyphenol
CID 146950417
10-(hydroxymethyl)-14-methoxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,15-triol
CID 5319768
(3R,4S)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 14159539
9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol
CID 46881109
acetic acid;(3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-3-ol
CID 91895482
[(2S,3R,4S)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl acetate
CID 102004562

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol?
The IUPAC name of (3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol (CID 14522837) is (3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol.
What is the SMILES notation for (3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol?
The canonical SMILES for (3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol is COc1cc(C[C@@]2(O)COc3cc(O)ccc3[C@H]2OC)ccc1O.
What is the InChIKey of (3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol?
The InChIKey is YKESZSLDFNFOLO-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H20O6/c1-22-16-7-11(3-6-14(16)20)9-18(21)10-24-15-8-12(19)4-5-13(15)17(18)23-2/h3-8,17,19-21H,9-10H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol?
(3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol has a molecular weight of 332.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol is sourced from PubChem (CID 14522837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).