2-(2-decoxyphenyl)benzoyl chloride

C23H29ClO2 — CID 88506217

IUPAC2-(2-decoxyphenyl)benzoyl chloride
SMILESCCCCCCCCCCOc1ccccc1-c1ccccc1C(=O)Cl
InChIInChI=1S/C23H29ClO2/c1-2-3-4-5-6-7-8-13-18-26-22-17-12-11-15-20(22)19-14-9-10-16-21(19)23(24)25/h9-12,14-17H,2-8,13,18H2,1H3
InChIKeyDUHMCISAFFZMAE-UHFFFAOYSA-N
MW372.94 g/mol
LogP7.25
Rot. Bonds12

About 2-(2-decoxyphenyl)benzoyl chloride

2-(2-decoxyphenyl)benzoyl chloride (PubChem CID 88506217) has the molecular formula C23H29ClO2 and a molecular weight of 372.94 g/mol. Its IUPAC name is 2-(2-decoxyphenyl)benzoyl chloride.

Molecular Properties

Compound Name2-(2-decoxyphenyl)benzoyl chloride
PubChem CID88506217
Molecular FormulaC23H29ClO2
Molecular Weight372.94 g/mol
Exact Mass372.19
IUPAC Name2-(2-decoxyphenyl)benzoyl chloride
SMILESCCCCCCCCCCOc1ccccc1-c1ccccc1C(=O)Cl
InChIInChI=1S/C23H29ClO2/c1-2-3-4-5-6-7-8-13-18-26-22-17-12-11-15-20(22)19-14-9-10-16-21(19)23(24)25/h9-12,14-17H,2-8,13,18H2,1H3
InChIKeyDUHMCISAFFZMAE-UHFFFAOYSA-N
XLogP7.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.94
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-heptoxyphenyl)benzoic acid
CID 70433575
2-(2-butoxyphenyl)benzamide
CID 174985404
dodecyl 2-dodecoxybenzoate
CID 57240468
hexyl 2-hexoxybenzoate
CID 86163108
2-decoxy-6-phenylbenzoyl chloride
CID 54019687
2,5-di(tridecoxy)benzene-1,4-dicarbonyl chloride
CID 101166018
butyl 2-nonoxybenzoate
CID 151830441
butyl 2-octoxybenzoate
CID 50943104
hexyl 2-butoxybenzoate
CID 70562326
2-nonoxybenzoic acid;zinc
CID 70396181
2-dodecoxybenzoic acid;nickel
CID 87443191
2-pentoxybenzohydrazide
CID 54793215

Frequently Asked Questions

What is the IUPAC name of 2-(2-decoxyphenyl)benzoyl chloride?
The IUPAC name of 2-(2-decoxyphenyl)benzoyl chloride (CID 88506217) is 2-(2-decoxyphenyl)benzoyl chloride.
What is the SMILES notation for 2-(2-decoxyphenyl)benzoyl chloride?
The canonical SMILES for 2-(2-decoxyphenyl)benzoyl chloride is CCCCCCCCCCOc1ccccc1-c1ccccc1C(=O)Cl.
What is the InChIKey of 2-(2-decoxyphenyl)benzoyl chloride?
The InChIKey is DUHMCISAFFZMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClO2/c1-2-3-4-5-6-7-8-13-18-26-22-17-12-11-15-20(22)19-14-9-10-16-21(19)23(24)25/h9-12,14-17H,2-8,13,18H2,1H3.
What are the key properties of 2-(2-decoxyphenyl)benzoyl chloride?
2-(2-decoxyphenyl)benzoyl chloride has a molecular weight of 372.94 g/mol, XLogP of 7.25, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-decoxyphenyl)benzoyl chloride is sourced from PubChem (CID 88506217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).