2-propan-2-yloxybenzoyl chloride

C10H11ClO2 — CID 15921914

IUPAC2-propan-2-yloxybenzoyl chloride
SMILESCC(C)Oc1ccccc1C(=O)Cl
InChIInChI=1S/C10H11ClO2/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3
InChIKeyCIYMDTDRZWFTTL-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.85
Rot. Bonds3

About 2-propan-2-yloxybenzoyl chloride

2-propan-2-yloxybenzoyl chloride (PubChem CID 15921914) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-propan-2-yloxybenzoyl chloride.

Molecular Properties

Compound Name2-propan-2-yloxybenzoyl chloride
PubChem CID15921914
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name2-propan-2-yloxybenzoyl chloride
SMILESCC(C)Oc1ccccc1C(=O)Cl
InChIInChI=1S/C10H11ClO2/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3
InChIKeyCIYMDTDRZWFTTL-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.85
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-butan-2-yloxybenzoyl chloride
CID 134306055
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
CID 146008297
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2-octan-2-yloxybenzoyl chloride
CID 76502840
2-[(2S)-octan-2-yl]oxybenzoyl chloride
CID 57274426
(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
CID 115788569
N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide
CID 100570232
2-amino-2-phenyl-1-(2-propan-2-yloxyphenyl)ethanone
CID 116551128
2-(1-chlorohexoxy)benzoyl chloride
CID 87921380
phenyl hydrogen carbonate;2-propan-2-yloxybenzoic acid
CID 66628962
2-imino-1-(2-propan-2-yloxyphenyl)ethanone
CID 91538765

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxybenzoyl chloride?
The IUPAC name of 2-propan-2-yloxybenzoyl chloride (CID 15921914) is 2-propan-2-yloxybenzoyl chloride.
What is the SMILES notation for 2-propan-2-yloxybenzoyl chloride?
The canonical SMILES for 2-propan-2-yloxybenzoyl chloride is CC(C)Oc1ccccc1C(=O)Cl.
What is the InChIKey of 2-propan-2-yloxybenzoyl chloride?
The InChIKey is CIYMDTDRZWFTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3.
What are the key properties of 2-propan-2-yloxybenzoyl chloride?
2-propan-2-yloxybenzoyl chloride has a molecular weight of 198.65 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxybenzoyl chloride is sourced from PubChem (CID 15921914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).