di(azulen-2-yl)methanol

C21H16O — CID 101223558

IUPACdi(azulen-2-yl)methanol
SMILESOC(c1cc2cccccc-2c1)c1cc2cccccc-2c1
InChIInChI=1S/C21H16O/c22-21(19-11-15-7-3-1-4-8-16(15)12-19)20-13-17-9-5-2-6-10-18(17)14-20/h1-14,21-22H
InChIKeyMRNNKOMYGIEADK-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.98
Rot. Bonds2

About di(azulen-2-yl)methanol

di(azulen-2-yl)methanol (PubChem CID 101223558) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is di(azulen-2-yl)methanol.

Molecular Properties

Compound Namedi(azulen-2-yl)methanol
PubChem CID101223558
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Namedi(azulen-2-yl)methanol
SMILESOC(c1cc2cccccc-2c1)c1cc2cccccc-2c1
InChIInChI=1S/C21H16O/c22-21(19-11-15-7-3-1-4-8-16(15)12-19)20-13-17-9-5-2-6-10-18(17)14-20/h1-14,21-22H
InChIKeyMRNNKOMYGIEADK-UHFFFAOYSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of di(azulen-2-yl)methanol?
The IUPAC name of di(azulen-2-yl)methanol (CID 101223558) is di(azulen-2-yl)methanol.
What is the SMILES notation for di(azulen-2-yl)methanol?
The canonical SMILES for di(azulen-2-yl)methanol is OC(c1cc2cccccc-2c1)c1cc2cccccc-2c1.
What is the InChIKey of di(azulen-2-yl)methanol?
The InChIKey is MRNNKOMYGIEADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c22-21(19-11-15-7-3-1-4-8-16(15)12-19)20-13-17-9-5-2-6-10-18(17)14-20/h1-14,21-22H.
What are the key properties of di(azulen-2-yl)methanol?
di(azulen-2-yl)methanol has a molecular weight of 284.36 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(azulen-2-yl)methanol is sourced from PubChem (CID 101223558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).