2-benzyl-2-(1H-inden-2-yl)-3,4-dihydro-1H-naphthalen-1-ol

C26H24O — CID 52952947

IUPAC2-benzyl-2-(1H-inden-2-yl)-3,4-dihydro-1H-naphthalen-1-ol
SMILESOC1c2ccccc2CCC1(Cc1ccccc1)C1=Cc2ccccc2C1
InChIInChI=1S/C26H24O/c27-25-24-13-7-6-10-20(24)14-15-26(25,18-19-8-2-1-3-9-19)23-16-21-11-4-5-12-22(21)17-23/h1-13,16,25,27H,14-15,17-18H2
InChIKeyOJQJHFSPUMBXJM-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.53
Rot. Bonds3

About 2-benzyl-2-(1H-inden-2-yl)-3,4-dihydro-1H-naphthalen-1-ol

2-benzyl-2-(1H-inden-2-yl)-3,4-dihydro-1H-naphthalen-1-ol (PubChem CID 52952947) has the molecular formula C26H24O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-benzyl-2-(1H-inden-2-yl)-3,4-dihydro-1H-naphthalen-1-ol.

Molecular Properties

Compound Name2-benzyl-2-(1H-inden-2-yl)-3,4-dihydro-1H-naphthalen-1-ol
PubChem CID52952947
Molecular FormulaC26H24O
Molecular Weight352.48 g/mol
Exact Mass352.18
IUPAC Name2-benzyl-2-(1H-inden-2-yl)-3,4-dihydro-1H-naphthalen-1-ol
SMILESOC1c2ccccc2CCC1(Cc1ccccc1)C1=Cc2ccccc2C1
InChIInChI=1S/C26H24O/c27-25-24-13-7-6-10-20(24)14-15-26(25,18-19-8-2-1-3-9-19)23-16-21-11-4-5-12-22(21)17-23/h1-13,16,25,27H,14-15,17-18H2
InChIKeyOJQJHFSPUMBXJM-UHFFFAOYSA-N
XLogP5.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(1H-inden-2-yl)-3,4-dihydro-1H-naphthalen-1-ol?
The IUPAC name of 2-benzyl-2-(1H-inden-2-yl)-3,4-dihydro-1H-naphthalen-1-ol (CID 52952947) is 2-benzyl-2-(1H-inden-2-yl)-3,4-dihydro-1H-naphthalen-1-ol.
What is the SMILES notation for 2-benzyl-2-(1H-inden-2-yl)-3,4-dihydro-1H-naphthalen-1-ol?
The canonical SMILES for 2-benzyl-2-(1H-inden-2-yl)-3,4-dihydro-1H-naphthalen-1-ol is OC1c2ccccc2CCC1(Cc1ccccc1)C1=Cc2ccccc2C1.
What is the InChIKey of 2-benzyl-2-(1H-inden-2-yl)-3,4-dihydro-1H-naphthalen-1-ol?
The InChIKey is OJQJHFSPUMBXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O/c27-25-24-13-7-6-10-20(24)14-15-26(25,18-19-8-2-1-3-9-19)23-16-21-11-4-5-12-22(21)17-23/h1-13,16,25,27H,14-15,17-18H2.
What are the key properties of 2-benzyl-2-(1H-inden-2-yl)-3,4-dihydro-1H-naphthalen-1-ol?
2-benzyl-2-(1H-inden-2-yl)-3,4-dihydro-1H-naphthalen-1-ol has a molecular weight of 352.48 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(1H-inden-2-yl)-3,4-dihydro-1H-naphthalen-1-ol is sourced from PubChem (CID 52952947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).