2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol

C25H26O — CID 139951457

IUPAC2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol
SMILESCC1=Cc2ccccc2C1c1ccc2ccccc2c1C(O)C(C)(C)C
InChIInChI=1S/C25H26O/c1-16-15-18-10-6-8-12-20(18)22(16)21-14-13-17-9-5-7-11-19(17)23(21)24(26)25(2,3)4/h5-15,22,24,26H,1-4H3
InChIKeyRRRWTMBPQJJRGN-UHFFFAOYSA-N
MW342.48 g/mol
LogP6.47
Rot. Bonds2

About 2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol

2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol (PubChem CID 139951457) has the molecular formula C25H26O and a molecular weight of 342.48 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol
PubChem CID139951457
Molecular FormulaC25H26O
Molecular Weight342.48 g/mol
Exact Mass342.20
IUPAC Name2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol
SMILESCC1=Cc2ccccc2C1c1ccc2ccccc2c1C(O)C(C)(C)C
InChIInChI=1S/C25H26O/c1-16-15-18-10-6-8-12-20(18)22(16)21-14-13-17-9-5-7-11-19(17)23(21)24(26)25(2,3)4/h5-15,22,24,26H,1-4H3
InChIKeyRRRWTMBPQJJRGN-UHFFFAOYSA-N
XLogP6.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol (CID 139951457) is 2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol is CC1=Cc2ccccc2C1c1ccc2ccccc2c1C(O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol?
The InChIKey is RRRWTMBPQJJRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O/c1-16-15-18-10-6-8-12-20(18)22(16)21-14-13-17-9-5-7-11-19(17)23(21)24(26)25(2,3)4/h5-15,22,24,26H,1-4H3.
What are the key properties of 2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol?
2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol has a molecular weight of 342.48 g/mol, XLogP of 6.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol is sourced from PubChem (CID 139951457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).