2-chloro-4-ethoxy-1-ethylbenzene

C10H13ClO — CID 21064451

IUPAC2-chloro-4-ethoxy-1-ethylbenzene
SMILESCCOc1ccc(CC)c(Cl)c1
InChIInChI=1S/C10H13ClO/c1-3-8-5-6-9(12-4-2)7-10(8)11/h5-7H,3-4H2,1-2H3
InChIKeyHZEKEVOTVGFELZ-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.30
Rot. Bonds3

About 2-chloro-4-ethoxy-1-ethylbenzene

2-chloro-4-ethoxy-1-ethylbenzene (PubChem CID 21064451) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-1-ethylbenzene.

Molecular Properties

Compound Name2-chloro-4-ethoxy-1-ethylbenzene
PubChem CID21064451
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name2-chloro-4-ethoxy-1-ethylbenzene
SMILESCCOc1ccc(CC)c(Cl)c1
InChIInChI=1S/C10H13ClO/c1-3-8-5-6-9(12-4-2)7-10(8)11/h5-7H,3-4H2,1-2H3
InChIKeyHZEKEVOTVGFELZ-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-ethyl-4-propoxybenzene
CID 21064447
2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 63411878
1-butyl-2-chloro-4-(4-ethoxyphenyl)benzene
CID 5218055
2-(2-chloro-4-ethoxyphenyl)benzoic acid
CID 53218434
1-(3-bromopropyl)-4-ethoxy-2-ethylbenzene
CID 83941643
1,2-dichloro-4-[(2-ethylphenyl)methoxy]benzene
CID 70995719
3-bromo-1-(2-chloro-4-ethoxyphenyl)propan-1-one
CID 134624497
(2-chloro-4-ethoxyphenyl)-cyclopropylmethanone
CID 82267627
4-chloro-1-(2-chloro-4-ethoxyphenyl)butan-1-one
CID 82267613
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
CID 90889125
CID 90889125
2-chloro-1-ethyl-4-iodobenzene
CID 71044998

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-1-ethylbenzene?
The IUPAC name of 2-chloro-4-ethoxy-1-ethylbenzene (CID 21064451) is 2-chloro-4-ethoxy-1-ethylbenzene.
What is the SMILES notation for 2-chloro-4-ethoxy-1-ethylbenzene?
The canonical SMILES for 2-chloro-4-ethoxy-1-ethylbenzene is CCOc1ccc(CC)c(Cl)c1.
What is the InChIKey of 2-chloro-4-ethoxy-1-ethylbenzene?
The InChIKey is HZEKEVOTVGFELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-3-8-5-6-9(12-4-2)7-10(8)11/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-ethoxy-1-ethylbenzene?
2-chloro-4-ethoxy-1-ethylbenzene has a molecular weight of 184.67 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-1-ethylbenzene is sourced from PubChem (CID 21064451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).