4,6-dimethylnaphthalen-2-ol

C12H12O — CID 56931272

IUPAC4,6-dimethylnaphthalen-2-ol
SMILESCc1ccc2cc(O)cc(C)c2c1
InChIInChI=1S/C12H12O/c1-8-3-4-10-7-11(13)6-9(2)12(10)5-8/h3-7,13H,1-2H3
InChIKeyQBVJVDZTZKLILK-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.16
Rot. Bonds

About 4,6-dimethylnaphthalen-2-ol

4,6-dimethylnaphthalen-2-ol (PubChem CID 56931272) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 4,6-dimethylnaphthalen-2-ol.

Molecular Properties

Compound Name4,6-dimethylnaphthalen-2-ol
PubChem CID56931272
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name4,6-dimethylnaphthalen-2-ol
SMILESCc1ccc2cc(O)cc(C)c2c1
InChIInChI=1S/C12H12O/c1-8-3-4-10-7-11(13)6-9(2)12(10)5-8/h3-7,13H,1-2H3
InChIKeyQBVJVDZTZKLILK-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 4,6-dimethylnaphthalen-2-ol?
The IUPAC name of 4,6-dimethylnaphthalen-2-ol (CID 56931272) is 4,6-dimethylnaphthalen-2-ol.
What is the SMILES notation for 4,6-dimethylnaphthalen-2-ol?
The canonical SMILES for 4,6-dimethylnaphthalen-2-ol is Cc1ccc2cc(O)cc(C)c2c1.
What is the InChIKey of 4,6-dimethylnaphthalen-2-ol?
The InChIKey is QBVJVDZTZKLILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-8-3-4-10-7-11(13)6-9(2)12(10)5-8/h3-7,13H,1-2H3.
What are the key properties of 4,6-dimethylnaphthalen-2-ol?
4,6-dimethylnaphthalen-2-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 4,6-dimethylnaphthalen-2-ol is sourced from PubChem (CID 56931272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).