(2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-ethoxy-6-methyl-3,4-dihydro-2H-chromen-3-ol

C20H24O5 — CID 23270478

IUPAC(2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-ethoxy-6-methyl-3,4-dihydro-2H-chromen-3-ol
SMILESCCO[C@@H]1c2cc(C)ccc2O[C@@H](c2ccc(OC)c(OC)c2)[C@H]1O
InChIInChI=1S/C20H24O5/c1-5-24-20-14-10-12(2)6-8-15(14)25-19(18(20)21)13-7-9-16(22-3)17(11-13)23-4/h6-11,18-21H,5H2,1-4H3/t18-,19+,20-/m1/s1
InChIKeyRXLUXBKZPSFHMZ-HSALFYBXSA-N
MW344.41 g/mol
LogP3.58
Rot. Bonds5

About (2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-ethoxy-6-methyl-3,4-dihydro-2H-chromen-3-ol

(2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-ethoxy-6-methyl-3,4-dihydro-2H-chromen-3-ol (PubChem CID 23270478) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-ethoxy-6-methyl-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-ethoxy-6-methyl-3,4-dihydro-2H-chromen-3-ol
PubChem CID23270478
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name(2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-ethoxy-6-methyl-3,4-dihydro-2H-chromen-3-ol
SMILESCCO[C@@H]1c2cc(C)ccc2O[C@@H](c2ccc(OC)c(OC)c2)[C@H]1O
InChIInChI=1S/C20H24O5/c1-5-24-20-14-10-12(2)6-8-15(14)25-19(18(20)21)13-7-9-16(22-3)17(11-13)23-4/h6-11,18-21H,5H2,1-4H3/t18-,19+,20-/m1/s1
InChIKeyRXLUXBKZPSFHMZ-HSALFYBXSA-N
XLogP3.58
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
(1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol
CID 11973047
3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 169180209
(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 10358378
2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 163010771
2-(3,4-dimethoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
CID 102353918
3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 169180211
[(2R,3S,4R)-4-[(2R,3R,4S)-3,4-diacetyloxy-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-6-yl]-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl] acetate
CID 162868665
(3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 102352404
2-methoxy-4-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162670180
[(2S,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 91727421
2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81482053

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-ethoxy-6-methyl-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-ethoxy-6-methyl-3,4-dihydro-2H-chromen-3-ol (CID 23270478) is (2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-ethoxy-6-methyl-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-ethoxy-6-methyl-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-ethoxy-6-methyl-3,4-dihydro-2H-chromen-3-ol is CCO[C@@H]1c2cc(C)ccc2O[C@@H](c2ccc(OC)c(OC)c2)[C@H]1O.
What is the InChIKey of (2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-ethoxy-6-methyl-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is RXLUXBKZPSFHMZ-HSALFYBXSA-N. The full InChI is InChI=1S/C20H24O5/c1-5-24-20-14-10-12(2)6-8-15(14)25-19(18(20)21)13-7-9-16(22-3)17(11-13)23-4/h6-11,18-21H,5H2,1-4H3/t18-,19+,20-/m1/s1.
What are the key properties of (2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-ethoxy-6-methyl-3,4-dihydro-2H-chromen-3-ol?
(2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-ethoxy-6-methyl-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 344.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-2-(3,4-dimethoxyphenyl)-4-ethoxy-6-methyl-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 23270478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).