ethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol

C21H30O6 — CID 91371558

IUPACethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol
SMILESCC.CC.COc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC)ccc1O
InChIInChI=1S/C17H18O6.2C2H6/c1-21-15-5-9(3-4-12(15)19)17-16(22-2)8-11-13(20)6-10(18)7-14(11)23-17;2*1-2/h3-7,16-20H,8H2,1-2H3;2*1-2H3/t16-,17-;;/m1../s1
InChIKeyJALPQTFDCWFFHC-QAPNYFPESA-N
MW378.47 g/mol
LogP4.56
Rot. Bonds3

About ethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol

ethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol (PubChem CID 91371558) has the molecular formula C21H30O6 and a molecular weight of 378.47 g/mol. Its IUPAC name is ethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol.

Molecular Properties

Compound Nameethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol
PubChem CID91371558
Molecular FormulaC21H30O6
Molecular Weight378.47 g/mol
Exact Mass378.20
IUPAC Nameethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol
SMILESCC.CC.COc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC)ccc1O
InChIInChI=1S/C17H18O6.2C2H6/c1-21-15-5-9(3-4-12(15)19)17-16(22-2)8-11-13(20)6-10(18)7-14(11)23-17;2*1-2/h3-7,16-20H,8H2,1-2H3;2*1-2H3/t16-,17-;;/m1../s1
InChIKeyJALPQTFDCWFFHC-QAPNYFPESA-N
XLogP4.56
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol with MolForge

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol
CID 54571165
[(2R,3S)-2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] acetate
CID 10882910
(2R,3S)-2-(3,4-dihydroxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methoxy]-3,4-dihydro-2H-chromene-5,7-diol
CID 45277412
2-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 607273
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] N,N-dimethylcarbamate
CID 86271533
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
CID 10763760
[2-methoxy-4-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulfate
CID 71251657
[2-methoxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl] hydrogen sulfate
CID 71579211
[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-5-yl] hydrogen sulfate
CID 78119649
2-(3,4-dihydroxynaphthalen-1-yl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol
CID 90945251
2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 146393584
2-(3,4-dihydroxyphenyl)-3-phenylmethoxy-3,4-dihydro-2H-chromene-5,7-diol
CID 22229404

Frequently Asked Questions

What is the IUPAC name of ethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol?
The IUPAC name of ethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol (CID 91371558) is ethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol.
What is the SMILES notation for ethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol?
The canonical SMILES for ethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol is CC.CC.COc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC)ccc1O.
What is the InChIKey of ethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol?
The InChIKey is JALPQTFDCWFFHC-QAPNYFPESA-N. The full InChI is InChI=1S/C17H18O6.2C2H6/c1-21-15-5-9(3-4-12(15)19)17-16(22-2)8-11-13(20)6-10(18)7-14(11)23-17;2*1-2/h3-7,16-20H,8H2,1-2H3;2*1-2H3/t16-,17-;;/m1../s1.
What are the key properties of ethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol?
ethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol has a molecular weight of 378.47 g/mol, XLogP of 4.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol is sourced from PubChem (CID 91371558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).