CID 159259752

C12H10InO — CID 159259752

IUPAC—
SMILES[In].c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.In/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H;
InChIKeyKWIVLFSAGQCQBL-UHFFFAOYSA-N
MW285.03 g/mol
LogP3.10
Rot. Bonds2

About CID 159259752

CID 159259752 (PubChem CID 159259752) has the molecular formula C12H10InO and a molecular weight of 285.03 g/mol.

Molecular Properties

Compound NameCID 159259752
PubChem CID159259752
Molecular FormulaC12H10InO
Molecular Weight285.03 g/mol
Exact Mass284.98
IUPAC Name—
SMILES[In].c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.In/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H;
InChIKeyKWIVLFSAGQCQBL-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.03
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 159259752?
The IUPAC name of CID 159259752 (CID 159259752) is not available.
What is the SMILES notation for CID 159259752?
The canonical SMILES for CID 159259752 is [In].c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of CID 159259752?
The InChIKey is KWIVLFSAGQCQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.In/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H;.
What are the key properties of CID 159259752?
CID 159259752 has a molecular weight of 285.03 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159259752 is sourced from PubChem (CID 159259752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).