5,6-diethoxy-3-(4-methylphenyl)-1H-inden-1-ol

C20H22O3 — CID 101408391

IUPAC5,6-diethoxy-3-(4-methylphenyl)-1H-inden-1-ol
SMILESCCOc1cc2c(cc1OCC)C(O)C=C2c1ccc(C)cc1
InChIInChI=1S/C20H22O3/c1-4-22-19-11-16-15(14-8-6-13(3)7-9-14)10-18(21)17(16)12-20(19)23-5-2/h6-12,18,21H,4-5H2,1-3H3
InChIKeyJJJQPYHMRFKZSO-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.27
Rot. Bonds5

About 5,6-diethoxy-3-(4-methylphenyl)-1H-inden-1-ol

5,6-diethoxy-3-(4-methylphenyl)-1H-inden-1-ol (PubChem CID 101408391) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 5,6-diethoxy-3-(4-methylphenyl)-1H-inden-1-ol.

Molecular Properties

Compound Name5,6-diethoxy-3-(4-methylphenyl)-1H-inden-1-ol
PubChem CID101408391
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name5,6-diethoxy-3-(4-methylphenyl)-1H-inden-1-ol
SMILESCCOc1cc2c(cc1OCC)C(O)C=C2c1ccc(C)cc1
InChIInChI=1S/C20H22O3/c1-4-22-19-11-16-15(14-8-6-13(3)7-9-14)10-18(21)17(16)12-20(19)23-5-2/h6-12,18,21H,4-5H2,1-3H3
InChIKeyJJJQPYHMRFKZSO-UHFFFAOYSA-N
XLogP4.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethoxy-3-(4-methylphenyl)-1H-inden-1-ol?
The IUPAC name of 5,6-diethoxy-3-(4-methylphenyl)-1H-inden-1-ol (CID 101408391) is 5,6-diethoxy-3-(4-methylphenyl)-1H-inden-1-ol.
What is the SMILES notation for 5,6-diethoxy-3-(4-methylphenyl)-1H-inden-1-ol?
The canonical SMILES for 5,6-diethoxy-3-(4-methylphenyl)-1H-inden-1-ol is CCOc1cc2c(cc1OCC)C(O)C=C2c1ccc(C)cc1.
What is the InChIKey of 5,6-diethoxy-3-(4-methylphenyl)-1H-inden-1-ol?
The InChIKey is JJJQPYHMRFKZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-4-22-19-11-16-15(14-8-6-13(3)7-9-14)10-18(21)17(16)12-20(19)23-5-2/h6-12,18,21H,4-5H2,1-3H3.
What are the key properties of 5,6-diethoxy-3-(4-methylphenyl)-1H-inden-1-ol?
5,6-diethoxy-3-(4-methylphenyl)-1H-inden-1-ol has a molecular weight of 310.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethoxy-3-(4-methylphenyl)-1H-inden-1-ol is sourced from PubChem (CID 101408391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).