4,8-dimethylnaphthalene-1,7-diol

C12H12O2 — CID 121008162

IUPAC4,8-dimethylnaphthalene-1,7-diol
SMILESCc1ccc(O)c2c(C)c(O)ccc12
InChIInChI=1S/C12H12O2/c1-7-3-5-11(14)12-8(2)10(13)6-4-9(7)12/h3-6,13-14H,1-2H3
InChIKeyXYQNNHFALRQLEB-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.87
Rot. Bonds

About 4,8-dimethylnaphthalene-1,7-diol

4,8-dimethylnaphthalene-1,7-diol (PubChem CID 121008162) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4,8-dimethylnaphthalene-1,7-diol.

Molecular Properties

Compound Name4,8-dimethylnaphthalene-1,7-diol
PubChem CID121008162
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name4,8-dimethylnaphthalene-1,7-diol
SMILESCc1ccc(O)c2c(C)c(O)ccc12
InChIInChI=1S/C12H12O2/c1-7-3-5-11(14)12-8(2)10(13)6-4-9(7)12/h3-6,13-14H,1-2H3
InChIKeyXYQNNHFALRQLEB-UHFFFAOYSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethylnaphthalene-1,7-diol?
The IUPAC name of 4,8-dimethylnaphthalene-1,7-diol (CID 121008162) is 4,8-dimethylnaphthalene-1,7-diol.
What is the SMILES notation for 4,8-dimethylnaphthalene-1,7-diol?
The canonical SMILES for 4,8-dimethylnaphthalene-1,7-diol is Cc1ccc(O)c2c(C)c(O)ccc12.
What is the InChIKey of 4,8-dimethylnaphthalene-1,7-diol?
The InChIKey is XYQNNHFALRQLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-7-3-5-11(14)12-8(2)10(13)6-4-9(7)12/h3-6,13-14H,1-2H3.
What are the key properties of 4,8-dimethylnaphthalene-1,7-diol?
4,8-dimethylnaphthalene-1,7-diol has a molecular weight of 188.23 g/mol, XLogP of 2.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethylnaphthalene-1,7-diol is sourced from PubChem (CID 121008162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).