1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one

C11H13ClO2 — CID 83885913

IUPAC1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one
SMILESCOCc1ccc(Cl)cc1CC(C)=O
InChIInChI=1S/C11H13ClO2/c1-8(13)5-10-6-11(12)4-3-9(10)7-14-2/h3-4,6H,5,7H2,1-2H3
InChIKeyPWDSRLVVBKTXDF-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.62
Rot. Bonds4

About 1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one

1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one (PubChem CID 83885913) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one
PubChem CID83885913
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one
SMILESCOCc1ccc(Cl)cc1CC(C)=O
InChIInChI=1S/C11H13ClO2/c1-8(13)5-10-6-11(12)4-3-9(10)7-14-2/h3-4,6H,5,7H2,1-2H3
InChIKeyPWDSRLVVBKTXDF-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
ethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate
CID 156502828
1-(2-amino-4-chlorophenyl)propan-2-one
CID 118813133
3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117304754
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one
CID 54232083
2-[5-chloro-2-(methoxymethyl)phenyl]propan-1-ol
CID 117306024
4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine
CID 117387719
methyl 4-chloro-2-fluoro-6-(methoxymethyl)benzoate
CID 170699894
[4-chloro-2-(chloromethyl)phenyl] acetate
CID 13254480
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961
3-amino-1-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]propan-1-one
CID 117366578

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one?
The IUPAC name of 1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one (CID 83885913) is 1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one is COCc1ccc(Cl)cc1CC(C)=O.
What is the InChIKey of 1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one?
The InChIKey is PWDSRLVVBKTXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-8(13)5-10-6-11(12)4-3-9(10)7-14-2/h3-4,6H,5,7H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one?
1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one has a molecular weight of 212.68 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one is sourced from PubChem (CID 83885913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).