3-(2-ethylphenyl)-2-(4-hydroxyphenyl)-7-methyl-1H-inden-5-ol

C24H22O2 — CID 24955085

IUPAC3-(2-ethylphenyl)-2-(4-hydroxyphenyl)-7-methyl-1H-inden-5-ol
SMILESCCc1ccccc1C1=C(c2ccc(O)cc2)Cc2c(C)cc(O)cc21
InChIInChI=1S/C24H22O2/c1-3-16-6-4-5-7-20(16)24-22(17-8-10-18(25)11-9-17)14-21-15(2)12-19(26)13-23(21)24/h4-13,25-26H,3,14H2,1-2H3
InChIKeyMXPDNBOXYQBXDQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.48
Rot. Bonds3

About 3-(2-ethylphenyl)-2-(4-hydroxyphenyl)-7-methyl-1H-inden-5-ol

3-(2-ethylphenyl)-2-(4-hydroxyphenyl)-7-methyl-1H-inden-5-ol (PubChem CID 24955085) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-2-(4-hydroxyphenyl)-7-methyl-1H-inden-5-ol.

Molecular Properties

Compound Name3-(2-ethylphenyl)-2-(4-hydroxyphenyl)-7-methyl-1H-inden-5-ol
PubChem CID24955085
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name3-(2-ethylphenyl)-2-(4-hydroxyphenyl)-7-methyl-1H-inden-5-ol
SMILESCCc1ccccc1C1=C(c2ccc(O)cc2)Cc2c(C)cc(O)cc21
InChIInChI=1S/C24H22O2/c1-3-16-6-4-5-7-20(16)24-22(17-8-10-18(25)11-9-17)14-21-15(2)12-19(26)13-23(21)24/h4-13,25-26H,3,14H2,1-2H3
InChIKeyMXPDNBOXYQBXDQ-UHFFFAOYSA-N
XLogP5.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 448537
CID 448537
CID 6623
CID 6623
CID 8663
CID 8663
CID 667476
CID 667476
CID 72300
CID 72300
CID 192197
CID 192197
CID 7249
CID 7249
CID 66166
CID 66166
CID 11742
CID 11742
CID 72303
CID 72303
CID 7112
CID 7112
CID 10229
CID 10229

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-2-(4-hydroxyphenyl)-7-methyl-1H-inden-5-ol?
The IUPAC name of 3-(2-ethylphenyl)-2-(4-hydroxyphenyl)-7-methyl-1H-inden-5-ol (CID 24955085) is 3-(2-ethylphenyl)-2-(4-hydroxyphenyl)-7-methyl-1H-inden-5-ol.
What is the SMILES notation for 3-(2-ethylphenyl)-2-(4-hydroxyphenyl)-7-methyl-1H-inden-5-ol?
The canonical SMILES for 3-(2-ethylphenyl)-2-(4-hydroxyphenyl)-7-methyl-1H-inden-5-ol is CCc1ccccc1C1=C(c2ccc(O)cc2)Cc2c(C)cc(O)cc21.
What is the InChIKey of 3-(2-ethylphenyl)-2-(4-hydroxyphenyl)-7-methyl-1H-inden-5-ol?
The InChIKey is MXPDNBOXYQBXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-3-16-6-4-5-7-20(16)24-22(17-8-10-18(25)11-9-17)14-21-15(2)12-19(26)13-23(21)24/h4-13,25-26H,3,14H2,1-2H3.
What are the key properties of 3-(2-ethylphenyl)-2-(4-hydroxyphenyl)-7-methyl-1H-inden-5-ol?
3-(2-ethylphenyl)-2-(4-hydroxyphenyl)-7-methyl-1H-inden-5-ol has a molecular weight of 342.44 g/mol, XLogP of 5.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-2-(4-hydroxyphenyl)-7-methyl-1H-inden-5-ol is sourced from PubChem (CID 24955085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).