5-chloro-2-propoxybenzoyl chloride

C10H10Cl2O2 — CID 12863236

IUPAC5-chloro-2-propoxybenzoyl chloride
SMILESCCCOc1ccc(Cl)cc1C(=O)Cl
InChIInChI=1S/C10H10Cl2O2/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h3-4,6H,2,5H2,1H3
InChIKeyIFYQNRXZWFVTBE-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.51
Rot. Bonds4

About 5-chloro-2-propoxybenzoyl chloride

5-chloro-2-propoxybenzoyl chloride (PubChem CID 12863236) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 5-chloro-2-propoxybenzoyl chloride.

Molecular Properties

Compound Name5-chloro-2-propoxybenzoyl chloride
PubChem CID12863236
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name5-chloro-2-propoxybenzoyl chloride
SMILESCCCOc1ccc(Cl)cc1C(=O)Cl
InChIInChI=1S/C10H10Cl2O2/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h3-4,6H,2,5H2,1H3
InChIKeyIFYQNRXZWFVTBE-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.51
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-butoxy-5-chlorobenzohydrazide
CID 54795706
(NE)-N-[1-(5-chloro-2-propoxyphenyl)ethylidene]hydroxylamine
CID 82081262
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
2-butoxy-5-fluorobenzoyl chloride
CID 91656743
1-(5-chloro-2-propoxyphenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione
CID 50889220
4-[(5-chloro-2-propoxybenzoyl)amino]butanoic acid
CID 119170646
(3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 104656991
cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676512
5-fluoro-2-pentoxybenzoyl chloride
CID 91655742
5-chloro-2-[(2-methylphenyl)methoxy]benzoyl chloride
CID 46779753
(5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71973264
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-2-propoxybenzamide
CID 119652893

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propoxybenzoyl chloride?
The IUPAC name of 5-chloro-2-propoxybenzoyl chloride (CID 12863236) is 5-chloro-2-propoxybenzoyl chloride.
What is the SMILES notation for 5-chloro-2-propoxybenzoyl chloride?
The canonical SMILES for 5-chloro-2-propoxybenzoyl chloride is CCCOc1ccc(Cl)cc1C(=O)Cl.
What is the InChIKey of 5-chloro-2-propoxybenzoyl chloride?
The InChIKey is IFYQNRXZWFVTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h3-4,6H,2,5H2,1H3.
What are the key properties of 5-chloro-2-propoxybenzoyl chloride?
5-chloro-2-propoxybenzoyl chloride has a molecular weight of 233.09 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propoxybenzoyl chloride is sourced from PubChem (CID 12863236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).