CID 175306290

C15H18BO2 — CID 175306290

IUPAC—
SMILESCCCc1ccc(-c2ccccc2)cc1.O[B]O
InChIInChI=1S/C15H16.BH2O2/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14;2-1-3/h3-5,7-12H,2,6H2,1H3;2-3H
InChIKeyDTOAFCBCKGMHTN-UHFFFAOYSA-N
MW241.12 g/mol
LogP2.81
Rot. Bonds3

About CID 175306290

CID 175306290 (PubChem CID 175306290) has the molecular formula C15H18BO2 and a molecular weight of 241.12 g/mol.

Molecular Properties

Compound NameCID 175306290
PubChem CID175306290
Molecular FormulaC15H18BO2
Molecular Weight241.12 g/mol
Exact Mass241.14
IUPAC Name—
SMILESCCCc1ccc(-c2ccccc2)cc1.O[B]O
InChIInChI=1S/C15H16.BH2O2/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14;2-1-3/h3-5,7-12H,2,6H2,1H3;2-3H
InChIKeyDTOAFCBCKGMHTN-UHFFFAOYSA-N
XLogP2.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 175306290 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene
CID 144519167
ethane;4-(4-hydroxyphenyl)phenol;propylbenzene
CID 174751919
1-butyl-4-phenylbenzene;ethane
CID 143743409
1-pentadecyl-4-phenylbenzene
CID 57166115
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1-methyl-4-phenyl-2-(4-propylphenyl)benzene
CID 123627409
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
1-phenyl-4-propylbenzene;2-(4-propylphenyl)benzoate
CID 23324392

Frequently Asked Questions

What is the IUPAC name of CID 175306290?
The IUPAC name of CID 175306290 (CID 175306290) is not available.
What is the SMILES notation for CID 175306290?
The canonical SMILES for CID 175306290 is CCCc1ccc(-c2ccccc2)cc1.O[B]O.
What is the InChIKey of CID 175306290?
The InChIKey is DTOAFCBCKGMHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.BH2O2/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14;2-1-3/h3-5,7-12H,2,6H2,1H3;2-3H.
What are the key properties of CID 175306290?
CID 175306290 has a molecular weight of 241.12 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175306290 is sourced from PubChem (CID 175306290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).