CID 154130948

C10H14BO2 — CID 154130948

IUPAC—
SMILESCC12O[B]OC1=CC1CC2C1(C)C
InChIInChI=1S/C10H14BO2/c1-9(2)6-4-7(9)10(3)8(5-6)12-11-13-10/h5-7H,4H2,1-3H3
InChIKeyBVYBTEKPRHHUMW-UHFFFAOYSA-N
MW177.03 g/mol
LogP1.89
Rot. Bonds

About CID 154130948

CID 154130948 (PubChem CID 154130948) has the molecular formula C10H14BO2 and a molecular weight of 177.03 g/mol.

Molecular Properties

Compound NameCID 154130948
PubChem CID154130948
Molecular FormulaC10H14BO2
Molecular Weight177.03 g/mol
Exact Mass177.11
IUPAC Name—
SMILESCC12O[B]OC1=CC1CC2C1(C)C
InChIInChI=1S/C10H14BO2/c1-9(2)6-4-7(9)10(3)8(5-6)12-11-13-10/h5-7H,4H2,1-3H3
InChIKeyBVYBTEKPRHHUMW-UHFFFAOYSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 51.89
H-Bond Donors ≤ 50
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 154130948?
The IUPAC name of CID 154130948 (CID 154130948) is not available.
What is the SMILES notation for CID 154130948?
The canonical SMILES for CID 154130948 is CC12O[B]OC1=CC1CC2C1(C)C.
What is the InChIKey of CID 154130948?
The InChIKey is BVYBTEKPRHHUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BO2/c1-9(2)6-4-7(9)10(3)8(5-6)12-11-13-10/h5-7H,4H2,1-3H3.
What are the key properties of CID 154130948?
CID 154130948 has a molecular weight of 177.03 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154130948 is sourced from PubChem (CID 154130948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).