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

C26H28O6 — CID 71717663

IUPAC(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc([C@@H]2c3c(OC)cc(OC)cc3C(O)[C@H]2c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C26H28O6/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/h6-14,23-24,26-27H,1-5H3/t23-,24-,26?/m0/s1
InChIKeyQJCVYQDUKSVVPW-OKHNBNEASA-N
MW436.50 g/mol
LogP4.69
Rot. Bonds7

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

(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 71717663) has the molecular formula C26H28O6 and a molecular weight of 436.50 g/mol. Its IUPAC name is (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID71717663
Molecular FormulaC26H28O6
Molecular Weight436.50 g/mol
Exact Mass436.19
IUPAC Name(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc([C@@H]2c3c(OC)cc(OC)cc3C(O)[C@H]2c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C26H28O6/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/h6-14,23-24,26-27H,1-5H3/t23-,24-,26?/m0/s1
InChIKeyQJCVYQDUKSVVPW-OKHNBNEASA-N
XLogP4.69
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
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-dihydro-1H-inden-1-ol?
The IUPAC name of (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol (CID 71717663) is (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol 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-dihydro-1H-inden-1-ol?
The InChIKey is QJCVYQDUKSVVPW-OKHNBNEASA-N. The full InChI is InChI=1S/C26H28O6/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/h6-14,23-24,26-27H,1-5H3/t23-,24-,26?/m0/s1.
What are the key properties of (2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol?
(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 436.50 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 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-dihydro-1H-inden-1-ol is sourced from PubChem (CID 71717663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).