methyl 2-(5-tert-butyl-2-methylphenyl)acetate

C14H20O2 — CID 82127657

IUPACmethyl 2-(5-tert-butyl-2-methylphenyl)acetate
SMILESCOC(=O)Cc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C14H20O2/c1-10-6-7-12(14(2,3)4)8-11(10)9-13(15)16-5/h6-8H,9H2,1-5H3
InChIKeyHKNDUXGPONMZKX-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.01
Rot. Bonds2

About methyl 2-(5-tert-butyl-2-methylphenyl)acetate

methyl 2-(5-tert-butyl-2-methylphenyl)acetate (PubChem CID 82127657) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is methyl 2-(5-tert-butyl-2-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-tert-butyl-2-methylphenyl)acetate
PubChem CID82127657
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Namemethyl 2-(5-tert-butyl-2-methylphenyl)acetate
SMILESCOC(=O)Cc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C14H20O2/c1-10-6-7-12(14(2,3)4)8-11(10)9-13(15)16-5/h6-8H,9H2,1-5H3
InChIKeyHKNDUXGPONMZKX-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoate
CID 115232370
methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
methyl 3-(2-methoxy-2-oxoethyl)-4-methylbenzoate
CID 59212520
methyl 2-(5-hydrazinyl-2-methylphenyl)acetate
CID 130777805
N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide
CID 159844631
3-(5-tert-butyl-2-methylphenyl)-2,2-difluoropropanoic acid
CID 116838224
3-[2-(5-tert-butyl-2-methylphenyl)ethylamino]propanoic acid
CID 115005536
ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate
CID 140674164
2-[(5-tert-butyl-2-methylphenyl)methylamino]acetic acid
CID 82496644
methyl 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]propanoate
CID 78907308
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-tert-butyl-2-methylphenyl)acetate?
The IUPAC name of methyl 2-(5-tert-butyl-2-methylphenyl)acetate (CID 82127657) is methyl 2-(5-tert-butyl-2-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(5-tert-butyl-2-methylphenyl)acetate?
The canonical SMILES for methyl 2-(5-tert-butyl-2-methylphenyl)acetate is COC(=O)Cc1cc(C(C)(C)C)ccc1C.
What is the InChIKey of methyl 2-(5-tert-butyl-2-methylphenyl)acetate?
The InChIKey is HKNDUXGPONMZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10-6-7-12(14(2,3)4)8-11(10)9-13(15)16-5/h6-8H,9H2,1-5H3.
What are the key properties of methyl 2-(5-tert-butyl-2-methylphenyl)acetate?
methyl 2-(5-tert-butyl-2-methylphenyl)acetate has a molecular weight of 220.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-tert-butyl-2-methylphenyl)acetate is sourced from PubChem (CID 82127657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).