2-hydroxy-3-propan-2-ylbenzoyl chloride

C10H11ClO2 — CID 154138899

IUPAC2-hydroxy-3-propan-2-ylbenzoyl chloride
SMILESCC(C)c1cccc(C(=O)Cl)c1O
InChIInChI=1S/C10H11ClO2/c1-6(2)7-4-3-5-8(9(7)12)10(11)13/h3-6,12H,1-2H3
InChIKeyKLYVJRPZURTRKP-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.89
Rot. Bonds2

About 2-hydroxy-3-propan-2-ylbenzoyl chloride

2-hydroxy-3-propan-2-ylbenzoyl chloride (PubChem CID 154138899) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-hydroxy-3-propan-2-ylbenzoyl chloride.

Molecular Properties

Compound Name2-hydroxy-3-propan-2-ylbenzoyl chloride
PubChem CID154138899
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name2-hydroxy-3-propan-2-ylbenzoyl chloride
SMILESCC(C)c1cccc(C(=O)Cl)c1O
InChIInChI=1S/C10H11ClO2/c1-6(2)7-4-3-5-8(9(7)12)10(11)13/h3-6,12H,1-2H3
InChIKeyKLYVJRPZURTRKP-UHFFFAOYSA-N
XLogP2.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-di(propan-2-yl)phenol;silver
CID 174803720
2-hydroxy-3-sulfanylbenzoyl chloride
CID 141300950
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
2,6-di(propan-2-yl)benzoic acid;2,6-di(propan-2-yl)phenol
CID 161375553
2-(2-methylpropanimidoyl)-6-propan-2-ylphenol
CID 635287
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
dimethylalumane;tris(2,6-di(propan-2-yl)phenol)
CID 173121880
2-hydroxy-N-pentyl-3-propan-2-ylbenzamide
CID 70943726
3-(difluoromethyl)-2-fluorobenzoyl chloride
CID 151173886
N-[2,6-di(propan-2-yl)phenyl]-2-hydroxybenzamide
CID 121296745
2-hydroxy-3-(1-sulfanylethyl)benzoic acid
CID 88637465

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-propan-2-ylbenzoyl chloride?
The IUPAC name of 2-hydroxy-3-propan-2-ylbenzoyl chloride (CID 154138899) is 2-hydroxy-3-propan-2-ylbenzoyl chloride.
What is the SMILES notation for 2-hydroxy-3-propan-2-ylbenzoyl chloride?
The canonical SMILES for 2-hydroxy-3-propan-2-ylbenzoyl chloride is CC(C)c1cccc(C(=O)Cl)c1O.
What is the InChIKey of 2-hydroxy-3-propan-2-ylbenzoyl chloride?
The InChIKey is KLYVJRPZURTRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-6(2)7-4-3-5-8(9(7)12)10(11)13/h3-6,12H,1-2H3.
What are the key properties of 2-hydroxy-3-propan-2-ylbenzoyl chloride?
2-hydroxy-3-propan-2-ylbenzoyl chloride has a molecular weight of 198.65 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-propan-2-ylbenzoyl chloride is sourced from PubChem (CID 154138899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).