1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol

C25H24O — CID 142805248

IUPAC1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol
SMILESCCc1cc2cc(C)ccc2c(-c2c(O)ccc3cc(C)ccc23)c1C
InChIInChI=1S/C25H24O/c1-5-18-14-20-13-16(3)7-10-22(20)24(17(18)4)25-21-9-6-15(2)12-19(21)8-11-23(25)26/h6-14,26H,5H2,1-4H3
InChIKeyAXTJENPTZIZHTN-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.85
Rot. Bonds2

About 1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol

1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol (PubChem CID 142805248) has the molecular formula C25H24O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol.

Molecular Properties

Compound Name1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol
PubChem CID142805248
Molecular FormulaC25H24O
Molecular Weight340.47 g/mol
Exact Mass340.18
IUPAC Name1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol
SMILESCCc1cc2cc(C)ccc2c(-c2c(O)ccc3cc(C)ccc23)c1C
InChIInChI=1S/C25H24O/c1-5-18-14-20-13-16(3)7-10-22(20)24(17(18)4)25-21-9-6-15(2)12-19(21)8-11-23(25)26/h6-14,26H,5H2,1-4H3
InChIKeyAXTJENPTZIZHTN-UHFFFAOYSA-N
XLogP6.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol?
The IUPAC name of 1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol (CID 142805248) is 1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol.
What is the SMILES notation for 1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol?
The canonical SMILES for 1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol is CCc1cc2cc(C)ccc2c(-c2c(O)ccc3cc(C)ccc23)c1C.
What is the InChIKey of 1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol?
The InChIKey is AXTJENPTZIZHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O/c1-5-18-14-20-13-16(3)7-10-22(20)24(17(18)4)25-21-9-6-15(2)12-19(21)8-11-23(25)26/h6-14,26H,5H2,1-4H3.
What are the key properties of 1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol?
1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol has a molecular weight of 340.47 g/mol, XLogP of 6.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2,6-dimethylnaphthalen-1-yl)-6-methylnaphthalen-2-ol is sourced from PubChem (CID 142805248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).