2-(3-propan-2-yloxyphenyl)acetyl chloride

C11H13ClO2 — CID 18333440

IUPAC2-(3-propan-2-yloxyphenyl)acetyl chloride
SMILESCC(C)Oc1cccc(CC(=O)Cl)c1
InChIInChI=1S/C11H13ClO2/c1-8(2)14-10-5-3-4-9(6-10)7-11(12)13/h3-6,8H,7H2,1-2H3
InChIKeyBLQFTPGHWOZEHB-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.78
Rot. Bonds4

About 2-(3-propan-2-yloxyphenyl)acetyl chloride

2-(3-propan-2-yloxyphenyl)acetyl chloride (PubChem CID 18333440) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-(3-propan-2-yloxyphenyl)acetyl chloride.

Molecular Properties

Compound Name2-(3-propan-2-yloxyphenyl)acetyl chloride
PubChem CID18333440
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-(3-propan-2-yloxyphenyl)acetyl chloride
SMILESCC(C)Oc1cccc(CC(=O)Cl)c1
InChIInChI=1S/C11H13ClO2/c1-8(2)14-10-5-3-4-9(6-10)7-11(12)13/h3-6,8H,7H2,1-2H3
InChIKeyBLQFTPGHWOZEHB-UHFFFAOYSA-N
XLogP2.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.78
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-(3-ethoxyphenyl)acetyl chloride
CID 22994163
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
acetamide;2-(3-methoxyphenyl)acetyl chloride
CID 158389550
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide
CID 111696739
(2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119363288
4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229628
1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
CID 119400816
2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 119198334
N-(2-amino-2-methylpropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119626689
2,2-dimethyl-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 117345113
N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119405627

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yloxyphenyl)acetyl chloride?
The IUPAC name of 2-(3-propan-2-yloxyphenyl)acetyl chloride (CID 18333440) is 2-(3-propan-2-yloxyphenyl)acetyl chloride.
What is the SMILES notation for 2-(3-propan-2-yloxyphenyl)acetyl chloride?
The canonical SMILES for 2-(3-propan-2-yloxyphenyl)acetyl chloride is CC(C)Oc1cccc(CC(=O)Cl)c1.
What is the InChIKey of 2-(3-propan-2-yloxyphenyl)acetyl chloride?
The InChIKey is BLQFTPGHWOZEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-8(2)14-10-5-3-4-9(6-10)7-11(12)13/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-(3-propan-2-yloxyphenyl)acetyl chloride?
2-(3-propan-2-yloxyphenyl)acetyl chloride has a molecular weight of 212.68 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxyphenyl)acetyl chloride is sourced from PubChem (CID 18333440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).