3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol

C21H26O3 — CID 139711668

IUPAC3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol
SMILESCCCOc1cc2c(cc1O)C(C)(c1cccc(O)c1)CC2(C)C
InChIInChI=1S/C21H26O3/c1-5-9-24-19-12-16-17(11-18(19)23)21(4,13-20(16,2)3)14-7-6-8-15(22)10-14/h6-8,10-12,22-23H,5,9,13H2,1-4H3
InChIKeyHEJVNNMKZMCDCU-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.87
Rot. Bonds4

About 3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol

3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol (PubChem CID 139711668) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol
PubChem CID139711668
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol
SMILESCCCOc1cc2c(cc1O)C(C)(c1cccc(O)c1)CC2(C)C
InChIInChI=1S/C21H26O3/c1-5-9-24-19-12-16-17(11-18(19)23)21(4,13-20(16,2)3)14-7-6-8-15(22)10-14/h6-8,10-12,22-23H,5,9,13H2,1-4H3
InChIKeyHEJVNNMKZMCDCU-UHFFFAOYSA-N
XLogP4.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol?
The IUPAC name of 3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol (CID 139711668) is 3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol.
What is the SMILES notation for 3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol?
The canonical SMILES for 3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol is CCCOc1cc2c(cc1O)C(C)(c1cccc(O)c1)CC2(C)C.
What is the InChIKey of 3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol?
The InChIKey is HEJVNNMKZMCDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-5-9-24-19-12-16-17(11-18(19)23)21(4,13-20(16,2)3)14-7-6-8-15(22)10-14/h6-8,10-12,22-23H,5,9,13H2,1-4H3.
What are the key properties of 3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol?
3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol has a molecular weight of 326.44 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-1,1,3-trimethyl-6-propoxy-2H-inden-5-ol is sourced from PubChem (CID 139711668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).