methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate

C14H20O3 — CID 116927544

IUPACmethyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate
SMILESCCOc1ccc(CC(C)(C)C(=O)OC)cc1
InChIInChI=1S/C14H20O3/c1-5-17-12-8-6-11(7-9-12)10-14(2,3)13(15)16-4/h6-9H,5,10H2,1-4H3
InChIKeyCOEFSXGFPAWOQB-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.83
Rot. Bonds5

About methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate

methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate (PubChem CID 116927544) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate
PubChem CID116927544
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate
SMILESCCOc1ccc(CC(C)(C)C(=O)OC)cc1
InChIInChI=1S/C14H20O3/c1-5-17-12-8-6-11(7-9-12)10-14(2,3)13(15)16-4/h6-9H,5,10H2,1-4H3
InChIKeyCOEFSXGFPAWOQB-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-(4-formylphenoxy)phenyl]-2,2-dimethylpropanoate
CID 176886436
methyl 3-[4-(2-bromoethyl)phenyl]-2,2-dimethylpropanoate
CID 19957512
methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 21348092
1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine
CID 94681273
methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate
CID 125467449
methyl 2-[(4-ethoxybenzoyl)amino]-2-methylpropanoate
CID 31922197
2-(4-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782036
2-(diethylamino)-3-(4-ethoxyphenyl)-2-methylpropanoic acid
CID 84752439
methyl 2-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]-2-methylpropanoate
CID 125497316
3-[(4-ethoxyphenyl)methylamino]-2,2-dimethylpropanoic acid
CID 115136553
2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498249
2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid
CID 65263874

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate (CID 116927544) is methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate is CCOc1ccc(CC(C)(C)C(=O)OC)cc1.
What is the InChIKey of methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate?
The InChIKey is COEFSXGFPAWOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-17-12-8-6-11(7-9-12)10-14(2,3)13(15)16-4/h6-9H,5,10H2,1-4H3.
What are the key properties of methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate?
methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate has a molecular weight of 236.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate is sourced from PubChem (CID 116927544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).