CID 162409088

C17H20BNO — CID 162409088

IUPAC—
SMILESCN(C)C.[B]CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H11BO.C3H9N/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11;1-4(2)3/h1-9H,10H2;1-3H3
InChIKeySAUCXNSIIXTZPZ-UHFFFAOYSA-N
MW265.16 g/mol
LogP3.30
Rot. Bonds3

About CID 162409088

CID 162409088 (PubChem CID 162409088) has the molecular formula C17H20BNO and a molecular weight of 265.16 g/mol.

Molecular Properties

Compound NameCID 162409088
PubChem CID162409088
Molecular FormulaC17H20BNO
Molecular Weight265.16 g/mol
Exact Mass265.16
IUPAC Name—
SMILESCN(C)C.[B]CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H11BO.C3H9N/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11;1-4(2)3/h1-9H,10H2;1-3H3
InChIKeySAUCXNSIIXTZPZ-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-1-(4-phenylphenyl)ethanone
CID 768313
2-(dimethylamino)-1-(4-phenylphenyl)ethanone;hydrochloride
CID 117066734
N,N-dimethyl-4-oxo-4-(4-phenylphenyl)butanamide
CID 154274689
CID 89115348
CID 89115348
CID 162414394
CID 162414394
2-(dipropylamino)-1-(4-phenylphenyl)ethanone
CID 82051052
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
1-(4-phenylphenyl)-3-sulfanylpropan-1-one
CID 116830745
1-(4-phenylphenyl)-2-(tribromo-λ4-tellanyl)ethanone
CID 134926027
ethane;4-phenylbenzoic acid;propane
CID 156791718
1-[4-(4-phenylphenoxy)phenyl]propan-1-one
CID 18364107
1-[4-[2-(4-phenylphenyl)ethynyl]phenyl]propan-1-one
CID 139662703

Frequently Asked Questions

What is the IUPAC name of CID 162409088?
The IUPAC name of CID 162409088 (CID 162409088) is not available.
What is the SMILES notation for CID 162409088?
The canonical SMILES for CID 162409088 is CN(C)C.[B]CC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of CID 162409088?
The InChIKey is SAUCXNSIIXTZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BO.C3H9N/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11;1-4(2)3/h1-9H,10H2;1-3H3.
What are the key properties of CID 162409088?
CID 162409088 has a molecular weight of 265.16 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162409088 is sourced from PubChem (CID 162409088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).