methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate

C18H20O3 — CID 141452620

IUPACmethyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(C)c(C)c1OCc1ccccc1
InChIInChI=1S/C18H20O3/c1-13-9-10-16(11-17(19)20-3)18(14(13)2)21-12-15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3
InChIKeyIREUPYFVXPXLMR-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.60
Rot. Bonds5

About methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate

methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate (PubChem CID 141452620) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate
PubChem CID141452620
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namemethyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(C)c(C)c1OCc1ccccc1
InChIInChI=1S/C18H20O3/c1-13-9-10-16(11-17(19)20-3)18(14(13)2)21-12-15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3
InChIKeyIREUPYFVXPXLMR-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3,5-dipentyl-2-phenylmethoxyphenyl)acetate
CID 130263523
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
CID 71187027
CID 172801156
CID 172801156
methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate
CID 141452623
ethane;methyl 2-(2-chloro-3,4-dimethylphenyl)acetate
CID 144916054
2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101115
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid
CID 90976255
methyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate
CID 103434268
methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate
CID 176907071
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate?
The IUPAC name of methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate (CID 141452620) is methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate?
The canonical SMILES for methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate is COC(=O)Cc1ccc(C)c(C)c1OCc1ccccc1.
What is the InChIKey of methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate?
The InChIKey is IREUPYFVXPXLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13-9-10-16(11-17(19)20-3)18(14(13)2)21-12-15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3.
What are the key properties of methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate?
methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate has a molecular weight of 284.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate is sourced from PubChem (CID 141452620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).