8-(8-methylnaphthalen-1-yl)naphthalen-1-ol

C21H16O — CID 157321941

IUPAC8-(8-methylnaphthalen-1-yl)naphthalen-1-ol
SMILESCc1cccc2cccc(-c3cccc4cccc(O)c34)c12
InChIInChI=1S/C21H16O/c1-14-6-2-7-15-8-3-11-17(20(14)15)18-12-4-9-16-10-5-13-19(22)21(16)18/h2-13,22H,1H3
InChIKeyZJRBAQSZNMQCAL-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.67
Rot. Bonds1

About 8-(8-methylnaphthalen-1-yl)naphthalen-1-ol

8-(8-methylnaphthalen-1-yl)naphthalen-1-ol (PubChem CID 157321941) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is 8-(8-methylnaphthalen-1-yl)naphthalen-1-ol.

Molecular Properties

Compound Name8-(8-methylnaphthalen-1-yl)naphthalen-1-ol
PubChem CID157321941
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name8-(8-methylnaphthalen-1-yl)naphthalen-1-ol
SMILESCc1cccc2cccc(-c3cccc4cccc(O)c34)c12
InChIInChI=1S/C21H16O/c1-14-6-2-7-15-8-3-11-17(20(14)15)18-12-4-9-16-10-5-13-19(22)21(16)18/h2-13,22H,1H3
InChIKeyZJRBAQSZNMQCAL-UHFFFAOYSA-N
XLogP5.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(8-methylnaphthalen-1-yl)naphthalen-1-ol?
The IUPAC name of 8-(8-methylnaphthalen-1-yl)naphthalen-1-ol (CID 157321941) is 8-(8-methylnaphthalen-1-yl)naphthalen-1-ol.
What is the SMILES notation for 8-(8-methylnaphthalen-1-yl)naphthalen-1-ol?
The canonical SMILES for 8-(8-methylnaphthalen-1-yl)naphthalen-1-ol is Cc1cccc2cccc(-c3cccc4cccc(O)c34)c12.
What is the InChIKey of 8-(8-methylnaphthalen-1-yl)naphthalen-1-ol?
The InChIKey is ZJRBAQSZNMQCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c1-14-6-2-7-15-8-3-11-17(20(14)15)18-12-4-9-16-10-5-13-19(22)21(16)18/h2-13,22H,1H3.
What are the key properties of 8-(8-methylnaphthalen-1-yl)naphthalen-1-ol?
8-(8-methylnaphthalen-1-yl)naphthalen-1-ol has a molecular weight of 284.36 g/mol, XLogP of 5.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-methylnaphthalen-1-yl)naphthalen-1-ol is sourced from PubChem (CID 157321941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).