methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate

C16H24O3 — CID 116927536

IUPACmethyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cc1cc(C(C)C)ccc1OC
InChIInChI=1S/C16H24O3/c1-11(2)12-7-8-14(18-5)13(9-12)10-16(3,4)15(17)19-6/h7-9,11H,10H2,1-6H3
InChIKeyJMSPYKCYDHJULE-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.56
Rot. Bonds5

About methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate

methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate (PubChem CID 116927536) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate
PubChem CID116927536
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Namemethyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cc1cc(C(C)C)ccc1OC
InChIInChI=1S/C16H24O3/c1-11(2)12-7-8-14(18-5)13(9-12)10-16(3,4)15(17)19-6/h7-9,11H,10H2,1-6H3
InChIKeyJMSPYKCYDHJULE-UHFFFAOYSA-N
XLogP3.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-propan-2-ylphenyl)-N,2-dimethylpropan-2-amine
CID 94686610
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 110780628
2-hydroxy-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 94687136
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-sulfanylacetamide
CID 115167149
methyl 5-(2-methoxy-5-propan-2-ylphenyl)-3-oxopentanoate
CID 54410073
methyl 3-[1-(3,4-dimethoxyphenyl)ethylamino]-2,2-dimethylpropanoate
CID 79621340
3-(2-methoxy-5-propan-2-ylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880601
4-[(2-methoxy-5-propan-2-ylphenyl)methylamino]butan-2-one
CID 115235635
methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929798
2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131889
3-(2-methoxy-4-propan-2-ylanilino)-2,2-dimethylpropanoic acid
CID 115136415
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-3-sulfanylpropanamide
CID 115167836

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate (CID 116927536) is methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)Cc1cc(C(C)C)ccc1OC.
What is the InChIKey of methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate?
The InChIKey is JMSPYKCYDHJULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11(2)12-7-8-14(18-5)13(9-12)10-16(3,4)15(17)19-6/h7-9,11H,10H2,1-6H3.
What are the key properties of methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate?
methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate has a molecular weight of 264.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate is sourced from PubChem (CID 116927536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).