[3-[[3-(hydroxymethyl)azulen-1-yl]methyl]azulen-1-yl]methanol

C23H20O2 — CID 44552060

IUPAC[3-[[3-(hydroxymethyl)azulen-1-yl]methyl]azulen-1-yl]methanol
SMILESOCc1cc(Cc2cc(CO)c3cccccc2-3)c2cccccc1-2
InChIInChI=1S/C23H20O2/c24-14-18-12-16(20-7-3-1-5-9-22(18)20)11-17-13-19(15-25)23-10-6-2-4-8-21(17)23/h1-10,12-13,24-25H,11,14-15H2
InChIKeyGKUSGYYZPCAECV-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.47
Rot. Bonds4

About [3-[[3-(hydroxymethyl)azulen-1-yl]methyl]azulen-1-yl]methanol

[3-[[3-(hydroxymethyl)azulen-1-yl]methyl]azulen-1-yl]methanol (PubChem CID 44552060) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is [3-[[3-(hydroxymethyl)azulen-1-yl]methyl]azulen-1-yl]methanol.

Molecular Properties

Compound Name[3-[[3-(hydroxymethyl)azulen-1-yl]methyl]azulen-1-yl]methanol
PubChem CID44552060
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name[3-[[3-(hydroxymethyl)azulen-1-yl]methyl]azulen-1-yl]methanol
SMILESOCc1cc(Cc2cc(CO)c3cccccc2-3)c2cccccc1-2
InChIInChI=1S/C23H20O2/c24-14-18-12-16(20-7-3-1-5-9-22(18)20)11-17-13-19(15-25)23-10-6-2-4-8-21(17)23/h1-10,12-13,24-25H,11,14-15H2
InChIKeyGKUSGYYZPCAECV-UHFFFAOYSA-N
XLogP4.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(hydroxymethyl)azulen-1-yl]methyl]azulen-1-yl]methanol?
The IUPAC name of [3-[[3-(hydroxymethyl)azulen-1-yl]methyl]azulen-1-yl]methanol (CID 44552060) is [3-[[3-(hydroxymethyl)azulen-1-yl]methyl]azulen-1-yl]methanol.
What is the SMILES notation for [3-[[3-(hydroxymethyl)azulen-1-yl]methyl]azulen-1-yl]methanol?
The canonical SMILES for [3-[[3-(hydroxymethyl)azulen-1-yl]methyl]azulen-1-yl]methanol is OCc1cc(Cc2cc(CO)c3cccccc2-3)c2cccccc1-2.
What is the InChIKey of [3-[[3-(hydroxymethyl)azulen-1-yl]methyl]azulen-1-yl]methanol?
The InChIKey is GKUSGYYZPCAECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c24-14-18-12-16(20-7-3-1-5-9-22(18)20)11-17-13-19(15-25)23-10-6-2-4-8-21(17)23/h1-10,12-13,24-25H,11,14-15H2.
What are the key properties of [3-[[3-(hydroxymethyl)azulen-1-yl]methyl]azulen-1-yl]methanol?
[3-[[3-(hydroxymethyl)azulen-1-yl]methyl]azulen-1-yl]methanol has a molecular weight of 328.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(hydroxymethyl)azulen-1-yl]methyl]azulen-1-yl]methanol is sourced from PubChem (CID 44552060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).