4-chloro-2-propylbenzoyl chloride

C10H10Cl2O — CID 141018159

IUPAC4-chloro-2-propylbenzoyl chloride
SMILESCCCc1cc(Cl)ccc1C(=O)Cl
InChIInChI=1S/C10H10Cl2O/c1-2-3-7-6-8(11)4-5-9(7)10(12)13/h4-6H,2-3H2,1H3
InChIKeyURTFVBAJVVHCLO-UHFFFAOYSA-N
MW217.09 g/mol
LogP3.67
Rot. Bonds3

About 4-chloro-2-propylbenzoyl chloride

4-chloro-2-propylbenzoyl chloride (PubChem CID 141018159) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 4-chloro-2-propylbenzoyl chloride.

Molecular Properties

Compound Name4-chloro-2-propylbenzoyl chloride
PubChem CID141018159
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name4-chloro-2-propylbenzoyl chloride
SMILESCCCc1cc(Cl)ccc1C(=O)Cl
InChIInChI=1S/C10H10Cl2O/c1-2-3-7-6-8(11)4-5-9(7)10(12)13/h4-6H,2-3H2,1H3
InChIKeyURTFVBAJVVHCLO-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-ethyl-2-propylbenzene
CID 144500548
4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide
CID 11181426
(4-chloro-2-propylphenyl)methanol
CID 165125586
5-chloro-N-methyl-2-propylbenzamide
CID 142083181
4-chloro-2-propylaniline
CID 23348961
ethyl 2-(2-bromoethyl)-4-chlorobenzoate
CID 174442445
2-ethylbenzene-1,4-dicarbonyl chloride
CID 19915511
5-chloro-2-propoxybenzoyl chloride
CID 12863236
4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene
CID 166154173
5-chloro-2-fluorobenzoyl chloride
CID 2773604
2-[(2-carbonochloridoyl-5-chlorophenyl)disulfanyl]-4-chlorobenzoyl chloride
CID 14812487
2-carbonochloridoyl-5-chlorobenzenesulfonic acid
CID 141290321

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propylbenzoyl chloride?
The IUPAC name of 4-chloro-2-propylbenzoyl chloride (CID 141018159) is 4-chloro-2-propylbenzoyl chloride.
What is the SMILES notation for 4-chloro-2-propylbenzoyl chloride?
The canonical SMILES for 4-chloro-2-propylbenzoyl chloride is CCCc1cc(Cl)ccc1C(=O)Cl.
What is the InChIKey of 4-chloro-2-propylbenzoyl chloride?
The InChIKey is URTFVBAJVVHCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-2-3-7-6-8(11)4-5-9(7)10(12)13/h4-6H,2-3H2,1H3.
What are the key properties of 4-chloro-2-propylbenzoyl chloride?
4-chloro-2-propylbenzoyl chloride has a molecular weight of 217.09 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propylbenzoyl chloride is sourced from PubChem (CID 141018159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).