methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate

C12H15ClO3 — CID 82552401

IUPACmethyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate
SMILESCOC(=O)Cc1c(C)c(Cl)cc(C)c1OC
InChIInChI=1S/C12H15ClO3/c1-7-5-10(13)8(2)9(12(7)16-4)6-11(14)15-3/h5H,6H2,1-4H3
InChIKeyVUWDQKMJWIBFIE-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.68
Rot. Bonds3

About methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate

methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate (PubChem CID 82552401) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate
PubChem CID82552401
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Namemethyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate
SMILESCOC(=O)Cc1c(C)c(Cl)cc(C)c1OC
InChIInChI=1S/C12H15ClO3/c1-7-5-10(13)8(2)9(12(7)16-4)6-11(14)15-3/h5H,6H2,1-4H3
InChIKeyVUWDQKMJWIBFIE-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-methoxy-3,6-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117354228
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine
CID 82552404
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid
CID 117329552
methyl 2-(3,5-dichloro-4-methylphenyl)acetate
CID 121228410
1-(5-chloro-3-hydroxy-2-methoxy-6-methylphenyl)propan-2-one
CID 117329472
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetonitrile
CID 84781042
3-(5-chloro-2-methoxy-3,6-dimethylphenyl)propane-1-thiol
CID 83940433
methyl 2-(2-chloro-4-formyl-6-methylphenyl)acetate
CID 171021659
2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid
CID 82266792
2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83940555
methyl 2-[2-chloro-4-(chloromethyl)-6-methylphenyl]acetate
CID 171015797
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-oxoacetic acid
CID 117358565

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate?
The IUPAC name of methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate (CID 82552401) is methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate.
What is the SMILES notation for methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate?
The canonical SMILES for methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate is COC(=O)Cc1c(C)c(Cl)cc(C)c1OC.
What is the InChIKey of methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate?
The InChIKey is VUWDQKMJWIBFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-7-5-10(13)8(2)9(12(7)16-4)6-11(14)15-3/h5H,6H2,1-4H3.
What are the key properties of methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate?
methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate has a molecular weight of 242.70 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate is sourced from PubChem (CID 82552401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).