2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol

C20H20O — CID 63411264

IUPAC2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol
SMILESCc1ccc(C)c(CC(O)c2cccc3ccccc23)c1
InChIInChI=1S/C20H20O/c1-14-10-11-15(2)17(12-14)13-20(21)19-9-5-7-16-6-3-4-8-18(16)19/h3-12,20-21H,13H2,1-2H3
InChIKeyHHXRTKXUBQUIJD-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.73
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol

2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol (PubChem CID 63411264) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol
PubChem CID63411264
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol
SMILESCc1ccc(C)c(CC(O)c2cccc3ccccc23)c1
InChIInChI=1S/C20H20O/c1-14-10-11-15(2)17(12-14)13-20(21)19-9-5-7-16-6-3-4-8-18(16)19/h3-12,20-21H,13H2,1-2H3
InChIKeyHHXRTKXUBQUIJD-UHFFFAOYSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,5-dimethylphenyl)-2-naphthalen-1-ylpropanenitrile
CID 82141330
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,5-dimethylbenzenesulfonamide
CID 90497358
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 55149164
1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115837599
1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
CID 62537711
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
2-(2,5-dimethylphenyl)-1-thiophen-2-ylethanol
CID 61481652
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115820172
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 63427104
2-(2,5-difluorophenyl)-1-naphthalen-1-ylethanol
CID 62716051
1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 64916180

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol (CID 63411264) is 2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol is Cc1ccc(C)c(CC(O)c2cccc3ccccc23)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol?
The InChIKey is HHXRTKXUBQUIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-14-10-11-15(2)17(12-14)13-20(21)19-9-5-7-16-6-3-4-8-18(16)19/h3-12,20-21H,13H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol?
2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol has a molecular weight of 276.38 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol is sourced from PubChem (CID 63411264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).