2-[(2-ethylphenoxy)methyl]benzoyl chloride

C16H15ClO2 — CID 19755754

IUPAC2-[(2-ethylphenoxy)methyl]benzoyl chloride
SMILESCCc1ccccc1OCc1ccccc1C(=O)Cl
InChIInChI=1S/C16H15ClO2/c1-2-12-7-4-6-10-15(12)19-11-13-8-3-5-9-14(13)16(17)18/h3-10H,2,11H2,1H3
InChIKeyCXUVITWISULTRW-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.21
Rot. Bonds5

About 2-[(2-ethylphenoxy)methyl]benzoyl chloride

2-[(2-ethylphenoxy)methyl]benzoyl chloride (PubChem CID 19755754) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-[(2-ethylphenoxy)methyl]benzoyl chloride.

Molecular Properties

Compound Name2-[(2-ethylphenoxy)methyl]benzoyl chloride
PubChem CID19755754
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name2-[(2-ethylphenoxy)methyl]benzoyl chloride
SMILESCCc1ccccc1OCc1ccccc1C(=O)Cl
InChIInChI=1S/C16H15ClO2/c1-2-12-7-4-6-10-15(12)19-11-13-8-3-5-9-14(13)16(17)18/h3-10H,2,11H2,1H3
InChIKeyCXUVITWISULTRW-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride
CID 19755755
3-[(2-ethylphenoxy)methyl]-2-fluorobenzoic acid
CID 107119721
2-[[4-(2-chloro-2-oxoethyl)phenoxy]methyl]benzoyl chloride
CID 58986826
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
2,3-bis[(2-ethylphenoxy)methyl]phenol
CID 67177980
2-[[2-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63680399
2-phenylmethoxybenzoyl chloride
CID 10999355
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
2-[(2-methoxyphenoxy)methyl]benzohydrazide
CID 63576535
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenoxy)methyl]benzoyl chloride?
The IUPAC name of 2-[(2-ethylphenoxy)methyl]benzoyl chloride (CID 19755754) is 2-[(2-ethylphenoxy)methyl]benzoyl chloride.
What is the SMILES notation for 2-[(2-ethylphenoxy)methyl]benzoyl chloride?
The canonical SMILES for 2-[(2-ethylphenoxy)methyl]benzoyl chloride is CCc1ccccc1OCc1ccccc1C(=O)Cl.
What is the InChIKey of 2-[(2-ethylphenoxy)methyl]benzoyl chloride?
The InChIKey is CXUVITWISULTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-2-12-7-4-6-10-15(12)19-11-13-8-3-5-9-14(13)16(17)18/h3-10H,2,11H2,1H3.
What are the key properties of 2-[(2-ethylphenoxy)methyl]benzoyl chloride?
2-[(2-ethylphenoxy)methyl]benzoyl chloride has a molecular weight of 274.75 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenoxy)methyl]benzoyl chloride is sourced from PubChem (CID 19755754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).