propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate

C14H20O3 — CID 142223299

IUPACpropan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate
SMILESCc1ccc(OC(C)(C)C(=O)OC(C)C)cc1
InChIInChI=1S/C14H20O3/c1-10(2)16-13(15)14(4,5)17-12-8-6-11(3)7-9-12/h6-10H,1-5H3
InChIKeyQZDHUOIEVRFZCJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.10
Rot. Bonds4

About propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate

propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate (PubChem CID 142223299) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate
PubChem CID142223299
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namepropan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate
SMILESCc1ccc(OC(C)(C)C(=O)OC(C)C)cc1
InChIInChI=1S/C14H20O3/c1-10(2)16-13(15)14(4,5)17-12-8-6-11(3)7-9-12/h6-10H,1-5H3
InChIKeyQZDHUOIEVRFZCJ-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-[4-(4-hydroxybenzoyl)phenoxy]-2-methylpropanoate
CID 23328939
propan-2-yl 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 146594149
propan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate
CID 145449077
propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
CID 24843423
propan-2-yl 2-[4-[1-(4-chlorophenyl)-1,2-dihydroxyethyl]phenoxy]-2-methylpropanoate
CID 100926057
ethane;2-methyl-2-(4-methylphenoxy)propanamide
CID 145199634
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7951044
propan-2-yl 2-[4-[4-[(E)-2-fluorosulfonylethenyl]benzoyl]phenoxy]-2-methylpropanoate
CID 175877344
N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide
CID 156877683
(4-methylphenyl) 2,2,3-trimethylbutanoate
CID 143509662
propan-2-yl 2-[4-(4-chlorobenzoyl)-2,3,5,6-tetradeuteriophenoxy]-2-methylpropanoate
CID 25145134

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate?
The IUPAC name of propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate (CID 142223299) is propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate.
What is the SMILES notation for propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate?
The canonical SMILES for propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate is Cc1ccc(OC(C)(C)C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate?
The InChIKey is QZDHUOIEVRFZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(2)16-13(15)14(4,5)17-12-8-6-11(3)7-9-12/h6-10H,1-5H3.
What are the key properties of propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate?
propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate has a molecular weight of 236.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate is sourced from PubChem (CID 142223299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).