methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate

C18H20O3 — CID 79620429

IUPACmethyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate
SMILESCOC(=O)C(C)(C)COc1ccccc1-c1ccccc1
InChIInChI=1S/C18H20O3/c1-18(2,17(19)20-3)13-21-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyKXEBFRCQSYGOPG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.93
Rot. Bonds5

About methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate

methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate (PubChem CID 79620429) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate
PubChem CID79620429
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namemethyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate
SMILESCOC(=O)C(C)(C)COc1ccccc1-c1ccccc1
InChIInChI=1S/C18H20O3/c1-18(2,17(19)20-3)13-21-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyKXEBFRCQSYGOPG-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate
CID 79622163
methyl 2,2-dimethyl-8-[2-(4-methylphenyl)phenoxy]octanoate
CID 59138116
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
methyl 2,2-dimethyl-3-(2-prop-2-enylphenoxy)propanoate
CID 79622880
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate
CID 79621575
1-phenyl-2-(2,2,2-trifluoroethoxy)benzene
CID 86122224
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
2-(2-phenylphenoxy)-N-propylacetamide
CID 112788813
N-(1-methoxypropan-2-yl)-2-(2-phenylphenoxy)acetamide
CID 18166557
methyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate
CID 79621275
methyl 3-(1-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoate
CID 79622787

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate (CID 79620429) is methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate is COC(=O)C(C)(C)COc1ccccc1-c1ccccc1.
What is the InChIKey of methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate?
The InChIKey is KXEBFRCQSYGOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-18(2,17(19)20-3)13-21-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate?
methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate has a molecular weight of 284.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate is sourced from PubChem (CID 79620429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).