(4-propan-2-yloxybenzoyl)chloranium

C10H12ClO2+ — CID 143172095

IUPAC(4-propan-2-yloxybenzoyl)chloranium
SMILESCC(C)Oc1ccc(C(=O)[ClH+])cc1
InChIInChI=1S/C10H12ClO2/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7,11H,1-2H3/q+1
InChIKeyJYBBRNXKRZEUAW-UHFFFAOYSA-N
MW199.66 g/mol
LogP1.90
Rot. Bonds3

About (4-propan-2-yloxybenzoyl)chloranium

(4-propan-2-yloxybenzoyl)chloranium (PubChem CID 143172095) has the molecular formula C10H12ClO2+ and a molecular weight of 199.66 g/mol. Its IUPAC name is (4-propan-2-yloxybenzoyl)chloranium.

Molecular Properties

Compound Name(4-propan-2-yloxybenzoyl)chloranium
PubChem CID143172095
Molecular FormulaC10H12ClO2+
Molecular Weight199.66 g/mol
Exact Mass199.05
IUPAC Name(4-propan-2-yloxybenzoyl)chloranium
SMILESCC(C)Oc1ccc(C(=O)[ClH+])cc1
InChIInChI=1S/C10H12ClO2/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7,11H,1-2H3/q+1
InChIKeyJYBBRNXKRZEUAW-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 51.90
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-oxo-2-(4-propan-2-yloxyphenyl)acetamide
CID 116924444
fluoro 4-propan-2-yloxybenzoate
CID 174701102
2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 22111343
2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone
CID 62961699
2-methyl-3-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116918210
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
dimethyl-[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl]sulfanium
CID 139727794
4-(4-propan-2-yloxybenzoyl)oxybenzoic acid
CID 54854478
2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 114037996
2-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848
3-amino-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 81463114

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxybenzoyl)chloranium?
The IUPAC name of (4-propan-2-yloxybenzoyl)chloranium (CID 143172095) is (4-propan-2-yloxybenzoyl)chloranium.
What is the SMILES notation for (4-propan-2-yloxybenzoyl)chloranium?
The canonical SMILES for (4-propan-2-yloxybenzoyl)chloranium is CC(C)Oc1ccc(C(=O)[ClH+])cc1.
What is the InChIKey of (4-propan-2-yloxybenzoyl)chloranium?
The InChIKey is JYBBRNXKRZEUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClO2/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7,11H,1-2H3/q+1.
What are the key properties of (4-propan-2-yloxybenzoyl)chloranium?
(4-propan-2-yloxybenzoyl)chloranium has a molecular weight of 199.66 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxybenzoyl)chloranium is sourced from PubChem (CID 143172095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).