[4-chloro-3-(methoxymethoxy)phenyl]methyl acetate

C11H13ClO4 — CID 23074357

IUPAC[4-chloro-3-(methoxymethoxy)phenyl]methyl acetate
SMILESCOCOc1cc(COC(C)=O)ccc1Cl
InChIInChI=1S/C11H13ClO4/c1-8(13)15-6-9-3-4-10(12)11(5-9)16-7-14-2/h3-5H,6-7H2,1-2H3
InChIKeyMNENFDJGCFFYSQ-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.39
Rot. Bonds5

About [4-chloro-3-(methoxymethoxy)phenyl]methyl acetate

[4-chloro-3-(methoxymethoxy)phenyl]methyl acetate (PubChem CID 23074357) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is [4-chloro-3-(methoxymethoxy)phenyl]methyl acetate.

Molecular Properties

Compound Name[4-chloro-3-(methoxymethoxy)phenyl]methyl acetate
PubChem CID23074357
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Name[4-chloro-3-(methoxymethoxy)phenyl]methyl acetate
SMILESCOCOc1cc(COC(C)=O)ccc1Cl
InChIInChI=1S/C11H13ClO4/c1-8(13)15-6-9-3-4-10(12)11(5-9)16-7-14-2/h3-5H,6-7H2,1-2H3
InChIKeyMNENFDJGCFFYSQ-UHFFFAOYSA-N
XLogP2.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
(3-chloro-4-methylsulfanylphenyl)methyl acetate
CID 24820752
(2-chloro-5-ethylphenyl) acetate
CID 142057542
(3-methoxy-4-nitrophenyl)methyl acetate
CID 91727983
(3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane
CID 154694821
(2S)-2-amino-3-(4-chloro-3-methoxyphenyl)propanoic acid
CID 57319937
[4-chloro-3-(3-methoxypropoxy)phenyl]methanol
CID 70333908
(3,4-dichlorophenyl)methyl 3-oxobutanoate
CID 3303006
methyl 5-chloro-2,4-bis(methoxymethoxy)benzoate
CID 57440512
[(2R)-2-(hydroxymethyl)-3-[4-(methoxymethoxy)-3-phenylmethoxyphenyl]propyl] acetate
CID 71574866
2-[4-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]phenyl]acetamide
CID 90856781
(4-fluoro-3-hydroxyphenyl)methyl acetate
CID 130354561

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(methoxymethoxy)phenyl]methyl acetate?
The IUPAC name of [4-chloro-3-(methoxymethoxy)phenyl]methyl acetate (CID 23074357) is [4-chloro-3-(methoxymethoxy)phenyl]methyl acetate.
What is the SMILES notation for [4-chloro-3-(methoxymethoxy)phenyl]methyl acetate?
The canonical SMILES for [4-chloro-3-(methoxymethoxy)phenyl]methyl acetate is COCOc1cc(COC(C)=O)ccc1Cl.
What is the InChIKey of [4-chloro-3-(methoxymethoxy)phenyl]methyl acetate?
The InChIKey is MNENFDJGCFFYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-8(13)15-6-9-3-4-10(12)11(5-9)16-7-14-2/h3-5H,6-7H2,1-2H3.
What are the key properties of [4-chloro-3-(methoxymethoxy)phenyl]methyl acetate?
[4-chloro-3-(methoxymethoxy)phenyl]methyl acetate has a molecular weight of 244.67 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(methoxymethoxy)phenyl]methyl acetate is sourced from PubChem (CID 23074357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).