1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone

C11H13ClO3 — CID 83893411

IUPAC1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cc(OC)c(C(C)=O)cc1Cl
InChIInChI=1S/C11H13ClO3/c1-7(13)9-5-10(12)8(6-14-2)4-11(9)15-3/h4-5H,6H2,1-3H3
InChIKeyRQQZJIQTVISFGZ-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.70
Rot. Bonds4

About 1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone

1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone (PubChem CID 83893411) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone
PubChem CID83893411
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cc(OC)c(C(C)=O)cc1Cl
InChIInChI=1S/C11H13ClO3/c1-7(13)9-5-10(12)8(6-14-2)4-11(9)15-3/h4-5H,6H2,1-3H3
InChIKeyRQQZJIQTVISFGZ-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-2-chloro-5-methoxybenzonitrile
CID 171002547
1-chloro-4-methoxy-2-(methoxymethyl)-5-nitrobenzene
CID 130271092
2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid
CID 117353062
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-one
CID 117395306
2-acetyl-4-chloro-5-methoxybenzaldehyde
CID 171002422
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117321933
5-chloro-2,4-dimethoxybenzoyl chloride
CID 18687442
4-amino-5-chloro-2-(methoxymethyl)benzoic acid
CID 154204229
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117350605
2-(5-chloro-2-ethyl-4-methoxyphenyl)-2-oxoacetic acid
CID 117358488
2-(bromomethyl)-5-chloro-4-methoxybenzoic acid
CID 171020349

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone (CID 83893411) is 1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone is COCc1cc(OC)c(C(C)=O)cc1Cl.
What is the InChIKey of 1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone?
The InChIKey is RQQZJIQTVISFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-7(13)9-5-10(12)8(6-14-2)4-11(9)15-3/h4-5H,6H2,1-3H3.
What are the key properties of 1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone?
1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone has a molecular weight of 228.67 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 83893411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).