(1,4,6-trimethylazulen-2-yl)methanol

C14H16O — CID 11019893

IUPAC(1,4,6-trimethylazulen-2-yl)methanol
SMILESCc1ccc2c(C)c(CO)cc-2c(C)c1
InChIInChI=1S/C14H16O/c1-9-4-5-13-11(3)12(8-15)7-14(13)10(2)6-9/h4-7,15H,8H2,1-3H3
InChIKeyJNHFLMGCDARBRM-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.21
Rot. Bonds1

About (1,4,6-trimethylazulen-2-yl)methanol

(1,4,6-trimethylazulen-2-yl)methanol (PubChem CID 11019893) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (1,4,6-trimethylazulen-2-yl)methanol.

Molecular Properties

Compound Name(1,4,6-trimethylazulen-2-yl)methanol
PubChem CID11019893
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(1,4,6-trimethylazulen-2-yl)methanol
SMILESCc1ccc2c(C)c(CO)cc-2c(C)c1
InChIInChI=1S/C14H16O/c1-9-4-5-13-11(3)12(8-15)7-14(13)10(2)6-9/h4-7,15H,8H2,1-3H3
InChIKeyJNHFLMGCDARBRM-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1,4,6-trimethylazulen-2-yl)methanol?
The IUPAC name of (1,4,6-trimethylazulen-2-yl)methanol (CID 11019893) is (1,4,6-trimethylazulen-2-yl)methanol.
What is the SMILES notation for (1,4,6-trimethylazulen-2-yl)methanol?
The canonical SMILES for (1,4,6-trimethylazulen-2-yl)methanol is Cc1ccc2c(C)c(CO)cc-2c(C)c1.
What is the InChIKey of (1,4,6-trimethylazulen-2-yl)methanol?
The InChIKey is JNHFLMGCDARBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-9-4-5-13-11(3)12(8-15)7-14(13)10(2)6-9/h4-7,15H,8H2,1-3H3.
What are the key properties of (1,4,6-trimethylazulen-2-yl)methanol?
(1,4,6-trimethylazulen-2-yl)methanol has a molecular weight of 200.28 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4,6-trimethylazulen-2-yl)methanol is sourced from PubChem (CID 11019893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).