(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-ol

C25H26O5 — CID 71654041

IUPAC(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cc(OC)cc([C@@H]2C(O)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1
InChIInChI=1S/C25H26O5/c1-27-17-10-16(11-18(12-17)28-2)23-22(15-8-6-5-7-9-15)24-20(25(23)26)13-19(29-3)14-21(24)30-4/h5-14,22-23,25-26H,1-4H3/t22-,23-,25?/m0/s1
InChIKeyCSOKZZVRUVPVHH-REQUTJCGSA-N
MW406.48 g/mol
LogP4.68
Rot. Bonds6

About (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-ol

(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 71654041) has the molecular formula C25H26O5 and a molecular weight of 406.48 g/mol. Its IUPAC name is (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-ol
PubChem CID71654041
Molecular FormulaC25H26O5
Molecular Weight406.48 g/mol
Exact Mass406.18
IUPAC Name(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cc(OC)cc([C@@H]2C(O)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1
InChIInChI=1S/C25H26O5/c1-27-17-10-16(11-18(12-17)28-2)23-22(15-8-6-5-7-9-15)24-20(25(23)26)13-19(29-3)14-21(24)30-4/h5-14,22-23,25-26H,1-4H3/t22-,23-,25?/m0/s1
InChIKeyCSOKZZVRUVPVHH-REQUTJCGSA-N
XLogP4.68
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-ol (CID 71654041) is (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-ol is COc1cc(OC)cc([C@@H]2C(O)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1.
What is the InChIKey of (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is CSOKZZVRUVPVHH-REQUTJCGSA-N. The full InChI is InChI=1S/C25H26O5/c1-27-17-10-16(11-18(12-17)28-2)23-22(15-8-6-5-7-9-15)24-20(25(23)26)13-19(29-3)14-21(24)30-4/h5-14,22-23,25-26H,1-4H3/t22-,23-,25?/m0/s1.
What are the key properties of (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-ol?
(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 406.48 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 71654041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).