CID 89324793

C9H11BO2 — CID 89324793

IUPAC—
SMILES[B]c1c(C)c(C)c(O)c(C)c1O
InChIInChI=1S/C9H11BO2/c1-4-5(2)8(11)6(3)9(12)7(4)10/h11-12H,1-3H3
InChIKeyUVNMNJYPZWMLGZ-UHFFFAOYSA-N
MW162.00 g/mol
LogP0.82
Rot. Bonds

About CID 89324793

CID 89324793 (PubChem CID 89324793) has the molecular formula C9H11BO2 and a molecular weight of 162.00 g/mol.

Molecular Properties

Compound NameCID 89324793
PubChem CID89324793
Molecular FormulaC9H11BO2
Molecular Weight162.00 g/mol
Exact Mass162.09
IUPAC Name—
SMILES[B]c1c(C)c(C)c(O)c(C)c1O
InChIInChI=1S/C9H11BO2/c1-4-5(2)8(11)6(3)9(12)7(4)10/h11-12H,1-3H3
InChIKeyUVNMNJYPZWMLGZ-UHFFFAOYSA-N
XLogP0.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.00
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89324793?
The IUPAC name of CID 89324793 (CID 89324793) is not available.
What is the SMILES notation for CID 89324793?
The canonical SMILES for CID 89324793 is [B]c1c(C)c(C)c(O)c(C)c1O.
What is the InChIKey of CID 89324793?
The InChIKey is UVNMNJYPZWMLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BO2/c1-4-5(2)8(11)6(3)9(12)7(4)10/h11-12H,1-3H3.
What are the key properties of CID 89324793?
CID 89324793 has a molecular weight of 162.00 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89324793 is sourced from PubChem (CID 89324793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).