[5-(hydroxymethyl)azulen-6-yl]methanol

C12H12O2 — CID 130131537

IUPAC[5-(hydroxymethyl)azulen-6-yl]methanol
SMILESOCc1ccc2cccc-2cc1CO
InChIInChI=1S/C12H12O2/c13-7-11-5-4-9-2-1-3-10(9)6-12(11)8-14/h1-6,13-14H,7-8H2
InChIKeyQIQYSPGWSOTKJR-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.78
Rot. Bonds2

About [5-(hydroxymethyl)azulen-6-yl]methanol

[5-(hydroxymethyl)azulen-6-yl]methanol (PubChem CID 130131537) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is [5-(hydroxymethyl)azulen-6-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)azulen-6-yl]methanol
PubChem CID130131537
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name[5-(hydroxymethyl)azulen-6-yl]methanol
SMILESOCc1ccc2cccc-2cc1CO
InChIInChI=1S/C12H12O2/c13-7-11-5-4-9-2-1-3-10(9)6-12(11)8-14/h1-6,13-14H,7-8H2
InChIKeyQIQYSPGWSOTKJR-UHFFFAOYSA-N
XLogP1.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bicyclo[3.1.0]hexa-1(6),2,4-triene;methanediol
CID 175364747
1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone
CID 144853232
3-[4-(hydroxymethyl)-3-methylphenyl]benzonitrile
CID 69444919
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
[2-(hydroxymethyl)phenyl]methanol;methane
CID 143282166
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
(6-phenyl-1-benzofuran-3-yl)methanol
CID 22062787
[7-(hydroxymethyl)-1,2-dimethyl-3-[3-(4-phenylphenyl)phenyl]isoquinolin-2-ium-6-yl]methanol
CID 66602539
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
3-(4-hydroxyphenyl)phenol;hydrobromide
CID 153382873
(2-fluoro-5-pyridin-4-ylphenyl)methanol
CID 46315613

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)azulen-6-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)azulen-6-yl]methanol (CID 130131537) is [5-(hydroxymethyl)azulen-6-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)azulen-6-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)azulen-6-yl]methanol is OCc1ccc2cccc-2cc1CO.
What is the InChIKey of [5-(hydroxymethyl)azulen-6-yl]methanol?
The InChIKey is QIQYSPGWSOTKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-7-11-5-4-9-2-1-3-10(9)6-12(11)8-14/h1-6,13-14H,7-8H2.
What are the key properties of [5-(hydroxymethyl)azulen-6-yl]methanol?
[5-(hydroxymethyl)azulen-6-yl]methanol has a molecular weight of 188.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)azulen-6-yl]methanol is sourced from PubChem (CID 130131537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).