CID 123401286

C14H23BNO — CID 123401286

IUPAC—
SMILESCCCN([B]c1cccc(OC)c1C)CCC
InChIInChI=1S/C14H23BNO/c1-5-10-16(11-6-2)15-13-8-7-9-14(17-4)12(13)3/h7-9H,5-6,10-11H2,1-4H3
InChIKeyDFFGBCNYVWVNEH-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.37
Rot. Bonds7

About CID 123401286

CID 123401286 (PubChem CID 123401286) has the molecular formula C14H23BNO and a molecular weight of 232.16 g/mol.

Molecular Properties

Compound NameCID 123401286
PubChem CID123401286
Molecular FormulaC14H23BNO
Molecular Weight232.16 g/mol
Exact Mass232.19
IUPAC Name—
SMILESCCCN([B]c1cccc(OC)c1C)CCC
InChIInChI=1S/C14H23BNO/c1-5-10-16(11-6-2)15-13-8-7-9-14(17-4)12(13)3/h7-9H,5-6,10-11H2,1-4H3
InChIKeyDFFGBCNYVWVNEH-UHFFFAOYSA-N
XLogP2.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.37
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

CID 171820116
CID 171820116
(3-methoxy-2-methylphenyl) hypoiodite
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CID 23198488
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CID 18505255
2-(3-methoxy-2-methylphenyl)acetaldehyde
CID 144630578
1-[(3-methoxy-2-methylphenyl)methyl]-1-methylhydrazine
CID 119090080
2-ethylsulfanyl-1,3-dimethoxybenzene
CID 12913383
N-ethyl-2-methoxy-6-methylaniline
CID 22769655
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
tris(1-methoxy-2-methylbenzene);propane
CID 158759517

Frequently Asked Questions

What is the IUPAC name of CID 123401286?
The IUPAC name of CID 123401286 (CID 123401286) is not available.
What is the SMILES notation for CID 123401286?
The canonical SMILES for CID 123401286 is CCCN([B]c1cccc(OC)c1C)CCC.
What is the InChIKey of CID 123401286?
The InChIKey is DFFGBCNYVWVNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BNO/c1-5-10-16(11-6-2)15-13-8-7-9-14(17-4)12(13)3/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of CID 123401286?
CID 123401286 has a molecular weight of 232.16 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123401286 is sourced from PubChem (CID 123401286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).