CID 18716344

C14H15BO — CID 18716344

IUPAC—
SMILES[B]C1(C)C=CC2=C(C=CC3=CCCCC32)O1
InChIInChI=1S/C14H15BO/c1-14(15)9-8-12-11-5-3-2-4-10(11)6-7-13(12)16-14/h4,6-9,11H,2-3,5H2,1H3
InChIKeyLRAZOIPAGPJRRV-UHFFFAOYSA-N
MW210.09 g/mol
LogP3.01
Rot. Bonds

About CID 18716344

CID 18716344 (PubChem CID 18716344) has the molecular formula C14H15BO and a molecular weight of 210.09 g/mol.

Molecular Properties

Compound NameCID 18716344
PubChem CID18716344
Molecular FormulaC14H15BO
Molecular Weight210.09 g/mol
Exact Mass210.12
IUPAC Name—
SMILES[B]C1(C)C=CC2=C(C=CC3=CCCCC32)O1
InChIInChI=1S/C14H15BO/c1-14(15)9-8-12-11-5-3-2-4-10(11)6-7-13(12)16-14/h4,6-9,11H,2-3,5H2,1H3
InChIKeyLRAZOIPAGPJRRV-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 18716344?
The IUPAC name of CID 18716344 (CID 18716344) is not available.
What is the SMILES notation for CID 18716344?
The canonical SMILES for CID 18716344 is [B]C1(C)C=CC2=C(C=CC3=CCCCC32)O1.
What is the InChIKey of CID 18716344?
The InChIKey is LRAZOIPAGPJRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BO/c1-14(15)9-8-12-11-5-3-2-4-10(11)6-7-13(12)16-14/h4,6-9,11H,2-3,5H2,1H3.
What are the key properties of CID 18716344?
CID 18716344 has a molecular weight of 210.09 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18716344 is sourced from PubChem (CID 18716344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).