2-[3-methyl-1-(3-methylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol

C24H22O2 — CID 139491439

IUPAC2-[3-methyl-1-(3-methylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol
SMILESCc1cc(-c2c(OCCO)c(C)cc3ccccc23)c2ccccc2c1
InChIInChI=1S/C24H22O2/c1-16-13-18-7-3-5-9-20(18)22(14-16)23-21-10-6-4-8-19(21)15-17(2)24(23)26-12-11-25/h3-10,13-15,25H,11-12H2,1-2H3
InChIKeyKWHUHPWZNRUMNN-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.65
Rot. Bonds4

About 2-[3-methyl-1-(3-methylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol

2-[3-methyl-1-(3-methylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol (PubChem CID 139491439) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[3-methyl-1-(3-methylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[3-methyl-1-(3-methylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol
PubChem CID139491439
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name2-[3-methyl-1-(3-methylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol
SMILESCc1cc(-c2c(OCCO)c(C)cc3ccccc23)c2ccccc2c1
InChIInChI=1S/C24H22O2/c1-16-13-18-7-3-5-9-20(18)22(14-16)23-21-10-6-4-8-19(21)15-17(2)24(23)26-12-11-25/h3-10,13-15,25H,11-12H2,1-2H3
InChIKeyKWHUHPWZNRUMNN-UHFFFAOYSA-N
XLogP5.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(3-methylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol?
The IUPAC name of 2-[3-methyl-1-(3-methylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol (CID 139491439) is 2-[3-methyl-1-(3-methylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol.
What is the SMILES notation for 2-[3-methyl-1-(3-methylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol?
The canonical SMILES for 2-[3-methyl-1-(3-methylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol is Cc1cc(-c2c(OCCO)c(C)cc3ccccc23)c2ccccc2c1.
What is the InChIKey of 2-[3-methyl-1-(3-methylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol?
The InChIKey is KWHUHPWZNRUMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-16-13-18-7-3-5-9-20(18)22(14-16)23-21-10-6-4-8-19(21)15-17(2)24(23)26-12-11-25/h3-10,13-15,25H,11-12H2,1-2H3.
What are the key properties of 2-[3-methyl-1-(3-methylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol?
2-[3-methyl-1-(3-methylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol has a molecular weight of 342.44 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(3-methylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol is sourced from PubChem (CID 139491439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).