4-chloro-1-ethyl-2-propylbenzene

C11H15Cl — CID 144500548

IUPAC4-chloro-1-ethyl-2-propylbenzene
SMILESCCCc1cc(Cl)ccc1CC
InChIInChI=1S/C11H15Cl/c1-3-5-10-8-11(12)7-6-9(10)4-2/h6-8H,3-5H2,1-2H3
InChIKeyMPZHNDKVMJHOIK-UHFFFAOYSA-N
MW182.69 g/mol
LogP3.85
Rot. Bonds3

About 4-chloro-1-ethyl-2-propylbenzene

4-chloro-1-ethyl-2-propylbenzene (PubChem CID 144500548) has the molecular formula C11H15Cl and a molecular weight of 182.69 g/mol. Its IUPAC name is 4-chloro-1-ethyl-2-propylbenzene.

Molecular Properties

Compound Name4-chloro-1-ethyl-2-propylbenzene
PubChem CID144500548
Molecular FormulaC11H15Cl
Molecular Weight182.69 g/mol
Exact Mass182.09
IUPAC Name4-chloro-1-ethyl-2-propylbenzene
SMILESCCCc1cc(Cl)ccc1CC
InChIInChI=1S/C11H15Cl/c1-3-5-10-8-11(12)7-6-9(10)4-2/h6-8H,3-5H2,1-2H3
InChIKeyMPZHNDKVMJHOIK-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.69
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4-chloro-2-propylphenyl)methanol
CID 165125586
4-chloro-2-propylaniline
CID 23348961
4-chloro-2-propylbenzoyl chloride
CID 141018159
1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine
CID 117288951
1-bromo-3-(4-chloro-2-ethylphenyl)propan-2-one
CID 134616753
5-chloro-N-methyl-2-propylbenzamide
CID 142083181
4-chloro-1-ethyl-2-iodobenzene
CID 68984613
4-chloro-2-propan-2-yl-1-propylbenzene;methanethiol
CID 153337592
4-chloro-1-ethyl-2-(isocyanatomethyl)benzene
CID 117285863
2-butyl-4-chloro-1-ethylbenzene;carbanide;uranium(2+)
CID 58598694
1-ethyl-4-(4-ethylphenyl)-2-propylbenzene
CID 143540689
1,2-diethyl-4-propylbenzene
CID 54363919

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-2-propylbenzene?
The IUPAC name of 4-chloro-1-ethyl-2-propylbenzene (CID 144500548) is 4-chloro-1-ethyl-2-propylbenzene.
What is the SMILES notation for 4-chloro-1-ethyl-2-propylbenzene?
The canonical SMILES for 4-chloro-1-ethyl-2-propylbenzene is CCCc1cc(Cl)ccc1CC.
What is the InChIKey of 4-chloro-1-ethyl-2-propylbenzene?
The InChIKey is MPZHNDKVMJHOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl/c1-3-5-10-8-11(12)7-6-9(10)4-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-chloro-1-ethyl-2-propylbenzene?
4-chloro-1-ethyl-2-propylbenzene has a molecular weight of 182.69 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-2-propylbenzene is sourced from PubChem (CID 144500548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).