(2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol

C18H20O5 — CID 101248074

IUPAC(2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1cc([C@@H]2Oc3ccc(O)cc3[C@H]2C)cc(OC)c1OC
InChIInChI=1S/C18H20O5/c1-10-13-9-12(19)5-6-14(13)23-17(10)11-7-15(20-2)18(22-4)16(8-11)21-3/h5-10,17,19H,1-4H3/t10-,17-/m1/s1
InChIKeyRFJMMOFCTXIUJX-BMLIUANNSA-N
MW316.35 g/mol
LogP3.66
Rot. Bonds4

About (2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol

(2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 101248074) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is (2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name(2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
PubChem CID101248074
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name(2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1cc([C@@H]2Oc3ccc(O)cc3[C@H]2C)cc(OC)c1OC
InChIInChI=1S/C18H20O5/c1-10-13-9-12(19)5-6-14(13)23-17(10)11-7-15(20-2)18(22-4)16(8-11)21-3/h5-10,17,19H,1-4H3/t10-,17-/m1/s1
InChIKeyRFJMMOFCTXIUJX-BMLIUANNSA-N
XLogP3.66
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol
CID 163037517
(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 10358378
2-methoxy-4-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162670180
(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 5314855
2-(3,4-dimethoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran
CID 102353918
2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol
CID 154345810
3-(hydroxymethyl)-4,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 91220103
2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 10043816
(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol
CID 10544393
(2S,3R)-3-(hydroxymethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 11482661
1-[2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-one
CID 162998919
2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 161182223

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of (2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol (CID 101248074) is (2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for (2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for (2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol is COc1cc([C@@H]2Oc3ccc(O)cc3[C@H]2C)cc(OC)c1OC.
What is the InChIKey of (2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is RFJMMOFCTXIUJX-BMLIUANNSA-N. The full InChI is InChI=1S/C18H20O5/c1-10-13-9-12(19)5-6-14(13)23-17(10)11-7-15(20-2)18(22-4)16(8-11)21-3/h5-10,17,19H,1-4H3/t10-,17-/m1/s1.
What are the key properties of (2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol?
(2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 316.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 101248074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).