tert-butyl 2-(3-methylphenoxy)propanoate

C14H20O3 — CID 66337727

IUPACtert-butyl 2-(3-methylphenoxy)propanoate
SMILESCc1cccc(OC(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H20O3/c1-10-7-6-8-12(9-10)16-11(2)13(15)17-14(3,4)5/h6-9,11H,1-5H3
InChIKeyNQHDBXLTSHGYPB-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.10
Rot. Bonds3

About tert-butyl 2-(3-methylphenoxy)propanoate

tert-butyl 2-(3-methylphenoxy)propanoate (PubChem CID 66337727) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl 2-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(3-methylphenoxy)propanoate
PubChem CID66337727
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nametert-butyl 2-(3-methylphenoxy)propanoate
SMILESCc1cccc(OC(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H20O3/c1-10-7-6-8-12(9-10)16-11(2)13(15)17-14(3,4)5/h6-9,11H,1-5H3
InChIKeyNQHDBXLTSHGYPB-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate
CID 66339372
1-amino-3-(3-methylphenoxy)butan-2-one
CID 82401994
2-(3-methylphenoxy)propanehydrazide
CID 3021693
N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
CID 119625770
tert-butyl 2-(2-tert-butyl-4-methylphenoxy)propanoate
CID 66339013
tert-butyl 2-(3-methyl-4-nitrophenoxy)propanoate
CID 66339011
tert-butyl 2-(4-iodophenoxy)propanoate
CID 66338461
2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide
CID 5211890
(4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate
CID 8915502
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
tert-butyl 2-methyl-4-(3-methylphenyl)-3-oxobutanoate
CID 66337976
N-(3-methylphenoxy)acetamide
CID 102440503

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-methylphenoxy)propanoate?
The IUPAC name of tert-butyl 2-(3-methylphenoxy)propanoate (CID 66337727) is tert-butyl 2-(3-methylphenoxy)propanoate.
What is the SMILES notation for tert-butyl 2-(3-methylphenoxy)propanoate?
The canonical SMILES for tert-butyl 2-(3-methylphenoxy)propanoate is Cc1cccc(OC(C)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 2-(3-methylphenoxy)propanoate?
The InChIKey is NQHDBXLTSHGYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-7-6-8-12(9-10)16-11(2)13(15)17-14(3,4)5/h6-9,11H,1-5H3.
What are the key properties of tert-butyl 2-(3-methylphenoxy)propanoate?
tert-butyl 2-(3-methylphenoxy)propanoate has a molecular weight of 236.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-methylphenoxy)propanoate is sourced from PubChem (CID 66337727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).