1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone

C11H13ClO2 — CID 83885927

IUPAC1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone
SMILESCCOc1c(C)cc(Cl)cc1C(C)=O
InChIInChI=1S/C11H13ClO2/c1-4-14-11-7(2)5-9(12)6-10(11)8(3)13/h5-6H,4H2,1-3H3
InChIKeyNWVZBPJZWHSCOQ-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.25
Rot. Bonds3

About 1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone

1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone (PubChem CID 83885927) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone
PubChem CID83885927
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone
SMILESCCOc1c(C)cc(Cl)cc1C(C)=O
InChIInChI=1S/C11H13ClO2/c1-4-14-11-7(2)5-9(12)6-10(11)8(3)13/h5-6H,4H2,1-3H3
InChIKeyNWVZBPJZWHSCOQ-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid
CID 83899428
1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone
CID 86677773
1-(2-ethoxy-3-methylphenyl)ethanone
CID 82074964
1-(3,5-dichloro-2-propoxyphenyl)ethanone
CID 82267096
(Z)-3-(5-chloro-2-ethoxy-3-methylphenyl)prop-2-enoic acid
CID 83969113
1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone
CID 145307696
ethyl 3-bromo-5-chloro-2-ethoxybenzoate
CID 50880228
1-(5-chloro-2-iodo-3-methylphenyl)ethanone
CID 171003749
1-[5-chloro-3-ethoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171002694
1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone
CID 171005984
1-(2-ethoxy-3,5-difluorophenyl)ethanone
CID 83880634
5-chloro-1-methyl-2-prop-2-enoxy-3-prop-1-en-2-ylbenzene
CID 134877794

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone?
The IUPAC name of 1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone (CID 83885927) is 1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone?
The canonical SMILES for 1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone is CCOc1c(C)cc(Cl)cc1C(C)=O.
What is the InChIKey of 1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone?
The InChIKey is NWVZBPJZWHSCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-4-14-11-7(2)5-9(12)6-10(11)8(3)13/h5-6H,4H2,1-3H3.
What are the key properties of 1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone?
1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone has a molecular weight of 212.68 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone is sourced from PubChem (CID 83885927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).