(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one

C26H26O6 — CID 71718266

IUPAC(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc([C@@H]2c3c(OC)cc(OC)cc3C(=O)[C@H]2c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C26H26O6/c1-28-17-8-6-15(7-9-17)23-24(16-10-18(29-2)12-19(11-16)30-3)26(27)21-13-20(31-4)14-22(32-5)25(21)23/h6-14,23-24H,1-5H3/t23-,24-/m0/s1
InChIKeySSTLSWMLUWHTLJ-ZEQRLZLVSA-N
MW434.49 g/mol
LogP4.84
Rot. Bonds7

About (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one

(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one (PubChem CID 71718266) has the molecular formula C26H26O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one
PubChem CID71718266
Molecular FormulaC26H26O6
Molecular Weight434.49 g/mol
Exact Mass434.17
IUPAC Name(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc([C@@H]2c3c(OC)cc(OC)cc3C(=O)[C@H]2c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C26H26O6/c1-28-17-8-6-15(7-9-17)23-24(16-10-18(29-2)12-19(11-16)30-3)26(27)21-13-20(31-4)14-22(32-5)25(21)23/h6-14,23-24H,1-5H3/t23-,24-/m0/s1
InChIKeySSTLSWMLUWHTLJ-ZEQRLZLVSA-N
XLogP4.84
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one (CID 71718266) is (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one is COc1ccc([C@@H]2c3c(OC)cc(OC)cc3C(=O)[C@H]2c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one?
The InChIKey is SSTLSWMLUWHTLJ-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H26O6/c1-28-17-8-6-15(7-9-17)23-24(16-10-18(29-2)12-19(11-16)30-3)26(27)21-13-20(31-4)14-22(32-5)25(21)23/h6-14,23-24H,1-5H3/t23-,24-/m0/s1.
What are the key properties of (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one?
(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one has a molecular weight of 434.49 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 71718266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).