(6,8-dimethylazulen-4-yl)methanol

C13H14O — CID 12607568

IUPAC(6,8-dimethylazulen-4-yl)methanol
SMILESCc1cc(C)c2cccc-2c(CO)c1
InChIInChI=1S/C13H14O/c1-9-6-10(2)12-4-3-5-13(12)11(7-9)8-14/h3-7,14H,8H2,1-2H3
InChIKeyMYEACPJRFFXOMA-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.90
Rot. Bonds1

About (6,8-dimethylazulen-4-yl)methanol

(6,8-dimethylazulen-4-yl)methanol (PubChem CID 12607568) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (6,8-dimethylazulen-4-yl)methanol.

Molecular Properties

Compound Name(6,8-dimethylazulen-4-yl)methanol
PubChem CID12607568
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(6,8-dimethylazulen-4-yl)methanol
SMILESCc1cc(C)c2cccc-2c(CO)c1
InChIInChI=1S/C13H14O/c1-9-6-10(2)12-4-3-5-13(12)11(7-9)8-14/h3-7,14H,8H2,1-2H3
InChIKeyMYEACPJRFFXOMA-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6,8-dimethylazulen-4-yl)methanol?
The IUPAC name of (6,8-dimethylazulen-4-yl)methanol (CID 12607568) is (6,8-dimethylazulen-4-yl)methanol.
What is the SMILES notation for (6,8-dimethylazulen-4-yl)methanol?
The canonical SMILES for (6,8-dimethylazulen-4-yl)methanol is Cc1cc(C)c2cccc-2c(CO)c1.
What is the InChIKey of (6,8-dimethylazulen-4-yl)methanol?
The InChIKey is MYEACPJRFFXOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-9-6-10(2)12-4-3-5-13(12)11(7-9)8-14/h3-7,14H,8H2,1-2H3.
What are the key properties of (6,8-dimethylazulen-4-yl)methanol?
(6,8-dimethylazulen-4-yl)methanol has a molecular weight of 186.25 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dimethylazulen-4-yl)methanol is sourced from PubChem (CID 12607568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).