2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-ol

C21H22O — CID 20693122

IUPAC2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-ol
SMILESCCCC1(C2=CCc3ccccc32)Cc2ccccc2C1O
InChIInChI=1S/C21H22O/c1-2-13-21(14-16-8-4-6-10-18(16)20(21)22)19-12-11-15-7-3-5-9-17(15)19/h3-10,12,20,22H,2,11,13-14H2,1H3
InChIKeyYYGSNYIVZOJBJG-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.70
Rot. Bonds3

About 2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-ol

2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-ol (PubChem CID 20693122) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-ol
PubChem CID20693122
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-ol
SMILESCCCC1(C2=CCc3ccccc32)Cc2ccccc2C1O
InChIInChI=1S/C21H22O/c1-2-13-21(14-16-8-4-6-10-18(16)20(21)22)19-12-11-15-7-3-5-9-17(15)19/h3-10,12,20,22H,2,11,13-14H2,1H3
InChIKeyYYGSNYIVZOJBJG-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-ol?
The IUPAC name of 2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-ol (CID 20693122) is 2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-ol.
What is the SMILES notation for 2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-ol?
The canonical SMILES for 2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-ol is CCCC1(C2=CCc3ccccc32)Cc2ccccc2C1O.
What is the InChIKey of 2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-ol?
The InChIKey is YYGSNYIVZOJBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O/c1-2-13-21(14-16-8-4-6-10-18(16)20(21)22)19-12-11-15-7-3-5-9-17(15)19/h3-10,12,20,22H,2,11,13-14H2,1H3.
What are the key properties of 2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-ol?
2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-ol has a molecular weight of 290.41 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-ol is sourced from PubChem (CID 20693122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).