1-(2-diethylboranyloxyphenyl)ethanone

C12H17BO2 — CID 600335

IUPAC1-(2-diethylboranyloxyphenyl)ethanone
SMILESCCB(CC)Oc1ccccc1C(C)=O
InChIInChI=1S/C12H17BO2/c1-4-13(5-2)15-12-9-7-6-8-11(12)10(3)14/h6-9H,4-5H2,1-3H3
InChIKeyHUKRCWRTIHKICP-UHFFFAOYSA-N
MW204.08 g/mol
LogP3.30
Rot. Bonds5

About 1-(2-diethylboranyloxyphenyl)ethanone

1-(2-diethylboranyloxyphenyl)ethanone (PubChem CID 600335) has the molecular formula C12H17BO2 and a molecular weight of 204.08 g/mol. Its IUPAC name is 1-(2-diethylboranyloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-diethylboranyloxyphenyl)ethanone
PubChem CID600335
Molecular FormulaC12H17BO2
Molecular Weight204.08 g/mol
Exact Mass204.13
IUPAC Name1-(2-diethylboranyloxyphenyl)ethanone
SMILESCCB(CC)Oc1ccccc1C(C)=O
InChIInChI=1S/C12H17BO2/c1-4-13(5-2)15-12-9-7-6-8-11(12)10(3)14/h6-9H,4-5H2,1-3H3
InChIKeyHUKRCWRTIHKICP-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.08
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-diethylboranyloxyphenyl)ethanone 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

(2-acetylphenyl) methyl carbonate
CID 14493761
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
1-(2-prop-1-en-2-yloxyphenyl)ethanone
CID 118199787
1-(2-diethylboranylphenyl)ethanone
CID 15472027
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
(2-acetylphenyl) 2-bromoacetate
CID 58158821
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
1-[2-(2-hydroxy-2-methylbutoxy)phenyl]ethanone
CID 114493911
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
sodium 2-(2-acetylphenoxy)acetate
CID 23600043
1-(2-acetylphenyl)ethanone;methane
CID 158210616

Frequently Asked Questions

What is the IUPAC name of 1-(2-diethylboranyloxyphenyl)ethanone?
The IUPAC name of 1-(2-diethylboranyloxyphenyl)ethanone (CID 600335) is 1-(2-diethylboranyloxyphenyl)ethanone.
What is the SMILES notation for 1-(2-diethylboranyloxyphenyl)ethanone?
The canonical SMILES for 1-(2-diethylboranyloxyphenyl)ethanone is CCB(CC)Oc1ccccc1C(C)=O.
What is the InChIKey of 1-(2-diethylboranyloxyphenyl)ethanone?
The InChIKey is HUKRCWRTIHKICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BO2/c1-4-13(5-2)15-12-9-7-6-8-11(12)10(3)14/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-(2-diethylboranyloxyphenyl)ethanone?
1-(2-diethylboranyloxyphenyl)ethanone has a molecular weight of 204.08 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diethylboranyloxyphenyl)ethanone is sourced from PubChem (CID 600335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).