1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one

C11H12ClFO2 — CID 83894588

IUPAC1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one
SMILESCCOc1c(Cl)cc(F)cc1CC(C)=O
InChIInChI=1S/C11H12ClFO2/c1-3-15-11-8(4-7(2)14)5-9(13)6-10(11)12/h5-6H,3-4H2,1-2H3
InChIKeyUPQQPFPULVKDJK-UHFFFAOYSA-N
MW230.67 g/mol
LogP3.01
Rot. Bonds4

About 1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one

1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one (PubChem CID 83894588) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one
PubChem CID83894588
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one
SMILESCCOc1c(Cl)cc(F)cc1CC(C)=O
InChIInChI=1S/C11H12ClFO2/c1-3-15-11-8(4-7(2)14)5-9(13)6-10(11)12/h5-6H,3-4H2,1-2H3
InChIKeyUPQQPFPULVKDJK-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluoro-2-methoxyphenyl)propan-2-one
CID 83880632
1-(3-ethoxy-5-fluorophenyl)propan-2-one
CID 118813373
(2-chloro-6-ethyl-4-fluorophenyl) hydrogen sulfite
CID 57048841
3-chloro-4-ethoxy-5-fluorobenzoic acid
CID 46737656
1-(2-ethoxy-3,5-difluorophenyl)ethanone
CID 83880634
2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine
CID 83895005
3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide
CID 37392157
ethyl 2-(3-chloro-5-fluoro-2-methoxyphenyl)-2-oxoacetate
CID 117405923
1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100
1-[2-ethoxy-3-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 166640944
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzoic acid
CID 91682258
2-(3-chloro-2-ethoxyphenyl)acetic acid
CID 75525846

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one?
The IUPAC name of 1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one (CID 83894588) is 1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one is CCOc1c(Cl)cc(F)cc1CC(C)=O.
What is the InChIKey of 1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one?
The InChIKey is UPQQPFPULVKDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-3-15-11-8(4-7(2)14)5-9(13)6-10(11)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one?
1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one has a molecular weight of 230.67 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-ethoxy-5-fluorophenyl)propan-2-one is sourced from PubChem (CID 83894588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).