methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate

C18H20O2 — CID 143366295

IUPACmethyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H20O2/c1-12-9-13(2)18(14(3)10-12)16-7-5-15(6-8-16)11-17(19)20-4/h5-10H,11H2,1-4H3
InChIKeyOUASJRHVAYOXJQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.99
Rot. Bonds3

About methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate

methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate (PubChem CID 143366295) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate
PubChem CID143366295
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Namemethyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H20O2/c1-12-9-13(2)18(14(3)10-12)16-7-5-15(6-8-16)11-17(19)20-4/h5-10H,11H2,1-4H3
InChIKeyOUASJRHVAYOXJQ-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[4-(3-methylphenyl)phenyl]acetate
CID 75488309
1-(bromomethyl)-4-methylbenzene;methyl 2-(4-methylphenyl)acetate
CID 158061256
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
methyl 2-[4-(tritiomethyl)phenyl]acetate
CID 140891676
[4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium
CID 142822061
ethane;methyl 2-[4-[4-(3-ethylpentan-3-yl)-2-methylphenyl]phenyl]acetate
CID 143366332
methyl 4-(2-methoxy-2-oxoethyl)-2-methylbenzoate
CID 171792318
methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate
CID 143365947
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
methyl 2-[4-(methylaminomethyl)phenyl]acetate
CID 23594251
sodium 4-(2-methoxy-2-oxoethyl)phenolate
CID 70152543

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate (CID 143366295) is methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate is COC(=O)Cc1ccc(-c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate?
The InChIKey is OUASJRHVAYOXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-9-13(2)18(14(3)10-12)16-7-5-15(6-8-16)11-17(19)20-4/h5-10H,11H2,1-4H3.
What are the key properties of methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate?
methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate has a molecular weight of 268.36 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate is sourced from PubChem (CID 143366295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).