2-chloro-1-ethyl-4-propoxybenzene

C11H15ClO — CID 21064447

IUPAC2-chloro-1-ethyl-4-propoxybenzene
SMILESCCCOc1ccc(CC)c(Cl)c1
InChIInChI=1S/C11H15ClO/c1-3-7-13-10-6-5-9(4-2)11(12)8-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyWGLLEEMIILQDTB-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.69
Rot. Bonds4

About 2-chloro-1-ethyl-4-propoxybenzene

2-chloro-1-ethyl-4-propoxybenzene (PubChem CID 21064447) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 2-chloro-1-ethyl-4-propoxybenzene.

Molecular Properties

Compound Name2-chloro-1-ethyl-4-propoxybenzene
PubChem CID21064447
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name2-chloro-1-ethyl-4-propoxybenzene
SMILESCCCOc1ccc(CC)c(Cl)c1
InChIInChI=1S/C11H15ClO/c1-3-7-13-10-6-5-9(4-2)11(12)8-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyWGLLEEMIILQDTB-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-ethoxy-1-ethylbenzene
CID 21064451
4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole
CID 174435809
ethyl 2-chloro-4-propoxybenzoate
CID 82551799
2-chloro-6-propoxynaphthalene
CID 125116367
(2-methylsulfinyl-4-propoxyphenyl)methanol
CID 134112802
2-chloro-1-(2-ethyl-4-propoxyphenyl)ethanone
CID 82267367
2-ethyl-1-hex-3-ynyl-4-propoxybenzene
CID 83941846
1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene
CID 30135289
1,2-dimethyl-4-propoxybenzene
CID 23549082
3-(4-chloro-3-ethylphenoxy)propanenitrile
CID 43212888
1-[2-(2,5-dipropoxyphenyl)ethynyl]-4-[2-[4-[2-(2,5-dipropoxyphenyl)ethynyl]-2,5-dipropoxyphenyl]ethynyl]-2,5-dipropoxybenzene
CID 11828930
3-[4-(aminomethyl)-3-chlorophenoxy]propanamide
CID 102723769

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethyl-4-propoxybenzene?
The IUPAC name of 2-chloro-1-ethyl-4-propoxybenzene (CID 21064447) is 2-chloro-1-ethyl-4-propoxybenzene.
What is the SMILES notation for 2-chloro-1-ethyl-4-propoxybenzene?
The canonical SMILES for 2-chloro-1-ethyl-4-propoxybenzene is CCCOc1ccc(CC)c(Cl)c1.
What is the InChIKey of 2-chloro-1-ethyl-4-propoxybenzene?
The InChIKey is WGLLEEMIILQDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-3-7-13-10-6-5-9(4-2)11(12)8-10/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-chloro-1-ethyl-4-propoxybenzene?
2-chloro-1-ethyl-4-propoxybenzene has a molecular weight of 198.69 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethyl-4-propoxybenzene is sourced from PubChem (CID 21064447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).