2-cyclopropylbenzoyl chloride

C10H9ClO — CID 118024624

IUPAC2-cyclopropylbenzoyl chloride
SMILESO=C(Cl)c1ccccc1C1CC1
InChIInChI=1S/C10H9ClO/c11-10(12)9-4-2-1-3-8(9)7-5-6-7/h1-4,7H,5-6H2
InChIKeyULNIWGYTJKTDHD-UHFFFAOYSA-N
MW180.63 g/mol
LogP2.94
Rot. Bonds2

About 2-cyclopropylbenzoyl chloride

2-cyclopropylbenzoyl chloride (PubChem CID 118024624) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is 2-cyclopropylbenzoyl chloride.

Molecular Properties

Compound Name2-cyclopropylbenzoyl chloride
PubChem CID118024624
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name2-cyclopropylbenzoyl chloride
SMILESO=C(Cl)c1ccccc1C1CC1
InChIInChI=1S/C10H9ClO/c11-10(12)9-4-2-1-3-8(9)7-5-6-7/h1-4,7H,5-6H2
InChIKeyULNIWGYTJKTDHD-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylbenzoyl chloride?
The IUPAC name of 2-cyclopropylbenzoyl chloride (CID 118024624) is 2-cyclopropylbenzoyl chloride.
What is the SMILES notation for 2-cyclopropylbenzoyl chloride?
The canonical SMILES for 2-cyclopropylbenzoyl chloride is O=C(Cl)c1ccccc1C1CC1.
What is the InChIKey of 2-cyclopropylbenzoyl chloride?
The InChIKey is ULNIWGYTJKTDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO/c11-10(12)9-4-2-1-3-8(9)7-5-6-7/h1-4,7H,5-6H2.
What are the key properties of 2-cyclopropylbenzoyl chloride?
2-cyclopropylbenzoyl chloride has a molecular weight of 180.63 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylbenzoyl chloride is sourced from PubChem (CID 118024624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).