CID 171469440

C18H10OY2-2 — CID 171469440

IUPAC—
SMILES[Y].[Y].[c-]1ccc2c(c1)-c1ccccc1-c1c[c-]ccc1O2
InChIInChI=1S/C18H10O.2Y/c1-2-8-14-13(7-1)15-9-3-5-11-17(15)19-18-12-6-4-10-16(14)18;;/h1-2,5-12H;;/q-2;;
InChIKeyNJXUSHGLHKFCRE-UHFFFAOYSA-N
MW420.09 g/mol
LogP4.72
Rot. Bonds

About CID 171469440

CID 171469440 (PubChem CID 171469440) has the molecular formula C18H10OY2-2 and a molecular weight of 420.09 g/mol.

Molecular Properties

Compound NameCID 171469440
PubChem CID171469440
Molecular FormulaC18H10OY2-2
Molecular Weight420.09 g/mol
Exact Mass419.89
IUPAC Name—
SMILES[Y].[Y].[c-]1ccc2c(c1)-c1ccccc1-c1c[c-]ccc1O2
InChIInChI=1S/C18H10O.2Y/c1-2-8-14-13(7-1)15-9-3-5-11-17(15)19-18-12-6-4-10-16(14)18;;/h1-2,5-12H;;/q-2;;
InChIKeyNJXUSHGLHKFCRE-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.09
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 171469440?
The IUPAC name of CID 171469440 (CID 171469440) is not available.
What is the SMILES notation for CID 171469440?
The canonical SMILES for CID 171469440 is [Y].[Y].[c-]1ccc2c(c1)-c1ccccc1-c1c[c-]ccc1O2.
What is the InChIKey of CID 171469440?
The InChIKey is NJXUSHGLHKFCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O.2Y/c1-2-8-14-13(7-1)15-9-3-5-11-17(15)19-18-12-6-4-10-16(14)18;;/h1-2,5-12H;;/q-2;;.
What are the key properties of CID 171469440?
CID 171469440 has a molecular weight of 420.09 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171469440 is sourced from PubChem (CID 171469440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).