methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate

C15H22O3 — CID 82553687

IUPACmethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
SMILESCOC(=O)CCc1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H22O3/c1-15(2,3)12-10-11(6-8-13(12)17-4)7-9-14(16)18-5/h6,8,10H,7,9H2,1-5H3
InChIKeyFAYLGQLFJATXFO-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.10
Rot. Bonds4

About methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate

methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate (PubChem CID 82553687) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
PubChem CID82553687
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namemethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
SMILESCOC(=O)CCc1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H22O3/c1-15(2,3)12-10-11(6-8-13(12)17-4)7-9-14(16)18-5/h6,8,10H,7,9H2,1-5H3
InChIKeyFAYLGQLFJATXFO-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-tert-butyl-4-propan-2-yloxyphenyl)propanoate
CID 82554235
2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 21199201
methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 3084638
methyl 3-[4-[2-bis[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]phosphanyloxyethoxy-[2-tert-butyl-4-(3-methoxy-3-oxopropyl)phenoxy]phosphanyl]oxy-3-tert-butylphenyl]propanoate
CID 59498736
2-(3-tert-butyl-4-methoxyphenyl)ethylcarbamothioic S-acid
CID 115170243
4-(3-tert-butyl-4-methoxyphenyl)butanoic acid
CID 57172546
1-[2-(3-tert-butyl-4-methoxyphenyl)ethylamino]propan-2-one
CID 115234974
methyl N-[(3-tert-butyl-4-methoxyphenyl)methyl]carbamate
CID 110780471
4-(2-bromoethyl)-2-tert-butyl-1-methoxybenzene
CID 82488264
2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine
CID 94684195
1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168613
1,5-bis[4-methoxy-3-(trifluoromethyl)phenyl]pentan-3-one
CID 151393915

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate?
The IUPAC name of methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate (CID 82553687) is methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate is COC(=O)CCc1ccc(OC)c(C(C)(C)C)c1.
What is the InChIKey of methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate?
The InChIKey is FAYLGQLFJATXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-15(2,3)12-10-11(6-8-13(12)17-4)7-9-14(16)18-5/h6,8,10H,7,9H2,1-5H3.
What are the key properties of methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate?
methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate has a molecular weight of 250.34 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 methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate is sourced from PubChem (CID 82553687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).