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

C25H24O5 — CID 127030705

IUPAC(2R,3R)-3-(3,5-dimethoxyphenyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc([C@@H]2C(=O)c3ccc(OC)cc3[C@H]2c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C25H24O5/c1-27-17-7-5-15(6-8-17)24-23(16-11-19(29-3)13-20(12-16)30-4)22-14-18(28-2)9-10-21(22)25(24)26/h5-14,23-24H,1-4H3/t23-,24+/m1/s1
InChIKeySWCYBEXSMRIJLW-RPWUZVMVSA-N
MW404.46 g/mol
LogP4.83
Rot. Bonds6

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

(2R,3R)-3-(3,5-dimethoxyphenyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydroinden-1-one (PubChem CID 127030705) has the molecular formula C25H24O5 and a molecular weight of 404.46 g/mol. Its IUPAC name is (2R,3R)-3-(3,5-dimethoxyphenyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2R,3R)-3-(3,5-dimethoxyphenyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydroinden-1-one
PubChem CID127030705
Molecular FormulaC25H24O5
Molecular Weight404.46 g/mol
Exact Mass404.16
IUPAC Name(2R,3R)-3-(3,5-dimethoxyphenyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc([C@@H]2C(=O)c3ccc(OC)cc3[C@H]2c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C25H24O5/c1-27-17-7-5-15(6-8-17)24-23(16-11-19(29-3)13-20(12-16)30-4)22-14-18(28-2)9-10-21(22)25(24)26/h5-14,23-24H,1-4H3/t23-,24+/m1/s1
InChIKeySWCYBEXSMRIJLW-RPWUZVMVSA-N
XLogP4.83
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(3,5-dimethoxyphenyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of (2R,3R)-3-(3,5-dimethoxyphenyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydroinden-1-one (CID 127030705) is (2R,3R)-3-(3,5-dimethoxyphenyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for (2R,3R)-3-(3,5-dimethoxyphenyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for (2R,3R)-3-(3,5-dimethoxyphenyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydroinden-1-one is COc1ccc([C@@H]2C(=O)c3ccc(OC)cc3[C@H]2c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of (2R,3R)-3-(3,5-dimethoxyphenyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydroinden-1-one?
The InChIKey is SWCYBEXSMRIJLW-RPWUZVMVSA-N. The full InChI is InChI=1S/C25H24O5/c1-27-17-7-5-15(6-8-17)24-23(16-11-19(29-3)13-20(12-16)30-4)22-14-18(28-2)9-10-21(22)25(24)26/h5-14,23-24H,1-4H3/t23-,24+/m1/s1.
What are the key properties of (2R,3R)-3-(3,5-dimethoxyphenyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydroinden-1-one?
(2R,3R)-3-(3,5-dimethoxyphenyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydroinden-1-one has a molecular weight of 404.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(3,5-dimethoxyphenyl)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 127030705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).