[(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate

C20H22O6 — CID 102092506

IUPAC[(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
SMILESCOc1ccc([C@H]2Oc3cc(OC)cc(OC)c3C[C@H]2OC(C)=O)cc1
InChIInChI=1S/C20H22O6/c1-12(21)25-19-11-16-17(24-4)9-15(23-3)10-18(16)26-20(19)13-5-7-14(22-2)8-6-13/h5-10,19-20H,11H2,1-4H3/t19-,20-/m1/s1
InChIKeyBLJHIQAQSCDZKJ-WOJBJXKFSA-N
MW358.39 g/mol
LogP3.32
Rot. Bonds5

About [(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate

[(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate (PubChem CID 102092506) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is [(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
PubChem CID102092506
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name[(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
SMILESCOc1ccc([C@H]2Oc3cc(OC)cc(OC)c3C[C@H]2OC(C)=O)cc1
InChIInChI=1S/C20H22O6/c1-12(21)25-19-11-16-17(24-4)9-15(23-3)10-18(16)26-20(19)13-5-7-14(22-2)8-6-13/h5-10,19-20H,11H2,1-4H3/t19-,20-/m1/s1
InChIKeyBLJHIQAQSCDZKJ-WOJBJXKFSA-N
XLogP3.32
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 10756490
[(2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl] acetate
CID 23241616
[(2R,3S)-5,7-diacetyloxy-2-(4-acetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 4-acetyloxybenzoate
CID 67772656
[5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3-methoxybenzoate
CID 56846842
[(2R,3S)-2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] acetate
CID 10882910
[(2R,3R)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 122179373
[(2R,3S)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 122179388
[2-[1-(3-acetyloxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)-3,4,6-trimethoxy-5-oxobenzo[7]annulen-8-yl]-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trimethoxybenzoate
CID 163055685
[5,7-dimethoxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,5-dihydroxy-4-methoxybenzoate
CID 53357909
[(2R,3S)-7-acetyloxy-2-(4-acetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 162892908
[(2R,3S)-2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl] acetate
CID 70821018
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene
CID 22094936

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate?
The IUPAC name of [(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate (CID 102092506) is [(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate.
What is the SMILES notation for [(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate?
The canonical SMILES for [(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate is COc1ccc([C@H]2Oc3cc(OC)cc(OC)c3C[C@H]2OC(C)=O)cc1.
What is the InChIKey of [(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate?
The InChIKey is BLJHIQAQSCDZKJ-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H22O6/c1-12(21)25-19-11-16-17(24-4)9-15(23-3)10-18(16)26-20(19)13-5-7-14(22-2)8-6-13/h5-10,19-20H,11H2,1-4H3/t19-,20-/m1/s1.
What are the key properties of [(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate?
[(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate has a molecular weight of 358.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate is sourced from PubChem (CID 102092506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).