(1R,2S,3R)-1-ethyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-5-ol

C20H24O4 — CID 15934997

IUPAC(1R,2S,3R)-1-ethyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-5-ol
SMILESCC[C@H]1c2cc(OC)c(O)c(OC)c2[C@@H](c2ccc(O)cc2)[C@H]1C
InChIInChI=1S/C20H24O4/c1-5-14-11(2)17(12-6-8-13(21)9-7-12)18-15(14)10-16(23-3)19(22)20(18)24-4/h6-11,14,17,21-22H,5H2,1-4H3/t11-,14+,17+/m0/s1
InChIKeyXCBIMCCPYLAYHV-FABXCBLPSA-N
MW328.41 g/mol
LogP4.39
Rot. Bonds4

About (1R,2S,3R)-1-ethyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-5-ol

(1R,2S,3R)-1-ethyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-5-ol (PubChem CID 15934997) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (1R,2S,3R)-1-ethyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(1R,2S,3R)-1-ethyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-5-ol
PubChem CID15934997
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(1R,2S,3R)-1-ethyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-5-ol
SMILESCC[C@H]1c2cc(OC)c(O)c(OC)c2[C@@H](c2ccc(O)cc2)[C@H]1C
InChIInChI=1S/C20H24O4/c1-5-14-11(2)17(12-6-8-13(21)9-7-12)18-15(14)10-16(23-3)19(22)20(18)24-4/h6-11,14,17,21-22H,5H2,1-4H3/t11-,14+,17+/m0/s1
InChIKeyXCBIMCCPYLAYHV-FABXCBLPSA-N
XLogP4.39
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-1-ethyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (1R,2S,3R)-1-ethyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-5-ol (CID 15934997) is (1R,2S,3R)-1-ethyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (1R,2S,3R)-1-ethyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (1R,2S,3R)-1-ethyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-5-ol is CC[C@H]1c2cc(OC)c(O)c(OC)c2[C@@H](c2ccc(O)cc2)[C@H]1C.
What is the InChIKey of (1R,2S,3R)-1-ethyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-5-ol?
The InChIKey is XCBIMCCPYLAYHV-FABXCBLPSA-N. The full InChI is InChI=1S/C20H24O4/c1-5-14-11(2)17(12-6-8-13(21)9-7-12)18-15(14)10-16(23-3)19(22)20(18)24-4/h6-11,14,17,21-22H,5H2,1-4H3/t11-,14+,17+/m0/s1.
What are the key properties of (1R,2S,3R)-1-ethyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-5-ol?
(1R,2S,3R)-1-ethyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-5-ol has a molecular weight of 328.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-1-ethyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-2-methyl-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 15934997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).