3,8-dimethylazulen-4-ol

C12H12O — CID 11557365

IUPAC3,8-dimethylazulen-4-ol
SMILESCc1cccc(O)c2c(C)ccc1-2
InChIInChI=1S/C12H12O/c1-8-4-3-5-11(13)12-9(2)6-7-10(8)12/h3-7,13H,1-2H3
InChIKeyQFMMPMIAQLXLHA-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.11
Rot. Bonds

About 3,8-dimethylazulen-4-ol

3,8-dimethylazulen-4-ol (PubChem CID 11557365) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 3,8-dimethylazulen-4-ol.

Molecular Properties

Compound Name3,8-dimethylazulen-4-ol
PubChem CID11557365
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name3,8-dimethylazulen-4-ol
SMILESCc1cccc(O)c2c(C)ccc1-2
InChIInChI=1S/C12H12O/c1-8-4-3-5-11(13)12-9(2)6-7-10(8)12/h3-7,13H,1-2H3
InChIKeyQFMMPMIAQLXLHA-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethylazulen-4-ol?
The IUPAC name of 3,8-dimethylazulen-4-ol (CID 11557365) is 3,8-dimethylazulen-4-ol.
What is the SMILES notation for 3,8-dimethylazulen-4-ol?
The canonical SMILES for 3,8-dimethylazulen-4-ol is Cc1cccc(O)c2c(C)ccc1-2.
What is the InChIKey of 3,8-dimethylazulen-4-ol?
The InChIKey is QFMMPMIAQLXLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-8-4-3-5-11(13)12-9(2)6-7-10(8)12/h3-7,13H,1-2H3.
What are the key properties of 3,8-dimethylazulen-4-ol?
3,8-dimethylazulen-4-ol has a molecular weight of 172.23 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethylazulen-4-ol is sourced from PubChem (CID 11557365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).