2-[2,6-di(propan-2-yl)phenyl]acetyl chloride

C14H19ClO — CID 19362782

IUPAC2-[2,6-di(propan-2-yl)phenyl]acetyl chloride
SMILESCC(C)c1cccc(C(C)C)c1CC(=O)Cl
InChIInChI=1S/C14H19ClO/c1-9(2)11-6-5-7-12(10(3)4)13(11)8-14(15)16/h5-7,9-10H,8H2,1-4H3
InChIKeyDGDULTYJJIIHHN-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.24
Rot. Bonds4

About 2-[2,6-di(propan-2-yl)phenyl]acetyl chloride

2-[2,6-di(propan-2-yl)phenyl]acetyl chloride (PubChem CID 19362782) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)phenyl]acetyl chloride.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)phenyl]acetyl chloride
PubChem CID19362782
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name2-[2,6-di(propan-2-yl)phenyl]acetyl chloride
SMILESCC(C)c1cccc(C(C)C)c1CC(=O)Cl
InChIInChI=1S/C14H19ClO/c1-9(2)11-6-5-7-12(10(3)4)13(11)8-14(15)16/h5-7,9-10H,8H2,1-4H3
InChIKeyDGDULTYJJIIHHN-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid
CID 157189839
2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone
CID 176753550
2-[[2,6-di(propan-2-yl)phenyl]methyl]cyclohepta-2,4,6-trien-1-one
CID 23381976
2-ethyl-3-propan-2-ylbenzoic acid
CID 89352889
2-(2-propan-2-ylphenyl)acetamide
CID 22163985
hydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium
CID 126564379
1,3-bis(2-propan-2-ylphenyl)propan-2-one
CID 21115419
2-hydroxy-3-propan-2-ylbenzoyl chloride
CID 154138899
methyl 2-[2-(aminomethyl)-3-propan-2-ylphenyl]acetate
CID 174486187
2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene
CID 155328338
1-ethyl-2-fluoro-3-propan-2-ylbenzene
CID 54146426
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]acetyl chloride?
The IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]acetyl chloride (CID 19362782) is 2-[2,6-di(propan-2-yl)phenyl]acetyl chloride.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)phenyl]acetyl chloride?
The canonical SMILES for 2-[2,6-di(propan-2-yl)phenyl]acetyl chloride is CC(C)c1cccc(C(C)C)c1CC(=O)Cl.
What is the InChIKey of 2-[2,6-di(propan-2-yl)phenyl]acetyl chloride?
The InChIKey is DGDULTYJJIIHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-9(2)11-6-5-7-12(10(3)4)13(11)8-14(15)16/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 2-[2,6-di(propan-2-yl)phenyl]acetyl chloride?
2-[2,6-di(propan-2-yl)phenyl]acetyl chloride has a molecular weight of 238.76 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)phenyl]acetyl chloride is sourced from PubChem (CID 19362782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).