5,7-dimethylnaphthalen-1-ol

C12H12O — CID 599056

IUPAC5,7-dimethylnaphthalen-1-ol
SMILESCc1cc(C)c2cccc(O)c2c1
InChIInChI=1S/C12H12O/c1-8-6-9(2)10-4-3-5-12(13)11(10)7-8/h3-7,13H,1-2H3
InChIKeyZMYBSCDKKBZCTM-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.16
Rot. Bonds

About 5,7-dimethylnaphthalen-1-ol

5,7-dimethylnaphthalen-1-ol (PubChem CID 599056) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 5,7-dimethylnaphthalen-1-ol.

Molecular Properties

Compound Name5,7-dimethylnaphthalen-1-ol
PubChem CID599056
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name5,7-dimethylnaphthalen-1-ol
SMILESCc1cc(C)c2cccc(O)c2c1
InChIInChI=1S/C12H12O/c1-8-6-9(2)10-4-3-5-12(13)11(10)7-8/h3-7,13H,1-2H3
InChIKeyZMYBSCDKKBZCTM-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylnaphthalen-1-ol?
The IUPAC name of 5,7-dimethylnaphthalen-1-ol (CID 599056) is 5,7-dimethylnaphthalen-1-ol.
What is the SMILES notation for 5,7-dimethylnaphthalen-1-ol?
The canonical SMILES for 5,7-dimethylnaphthalen-1-ol is Cc1cc(C)c2cccc(O)c2c1.
What is the InChIKey of 5,7-dimethylnaphthalen-1-ol?
The InChIKey is ZMYBSCDKKBZCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-8-6-9(2)10-4-3-5-12(13)11(10)7-8/h3-7,13H,1-2H3.
What are the key properties of 5,7-dimethylnaphthalen-1-ol?
5,7-dimethylnaphthalen-1-ol has a molecular weight of 172.23 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylnaphthalen-1-ol is sourced from PubChem (CID 599056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).