(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol

C18H20O4 — CID 5314451

IUPAC(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1ccc([C@@H]2Oc3c(OC)cc(O)c(C)c3[C@H]2C)cc1
InChIInChI=1S/C18H20O4/c1-10-14(19)9-15(21-4)18-16(10)11(2)17(22-18)12-5-7-13(20-3)8-6-12/h5-9,11,17,19H,1-4H3/t11-,17-/m1/s1
InChIKeyUENAYLOCUKZRNZ-PIGZYNQJSA-N
MW300.35 g/mol
LogP3.96
Rot. Bonds3

About (2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol

(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 5314451) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID5314451
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1ccc([C@@H]2Oc3c(OC)cc(O)c(C)c3[C@H]2C)cc1
InChIInChI=1S/C18H20O4/c1-10-14(19)9-15(21-4)18-16(10)11(2)17(22-18)12-5-7-13(20-3)8-6-12/h5-9,11,17,19H,1-4H3/t11-,17-/m1/s1
InChIKeyUENAYLOCUKZRNZ-PIGZYNQJSA-N
XLogP3.96
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of (2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol (CID 5314451) is (2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for (2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for (2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol is COc1ccc([C@@H]2Oc3c(OC)cc(O)c(C)c3[C@H]2C)cc1.
What is the InChIKey of (2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is UENAYLOCUKZRNZ-PIGZYNQJSA-N. The full InChI is InChI=1S/C18H20O4/c1-10-14(19)9-15(21-4)18-16(10)11(2)17(22-18)12-5-7-13(20-3)8-6-12/h5-9,11,17,19H,1-4H3/t11-,17-/m1/s1.
What are the key properties of (2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol?
(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 300.35 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 5314451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).