methyl 4-(2-tert-butylphenoxy)benzoate

C18H20O3 — CID 91084435

IUPACmethyl 4-(2-tert-butylphenoxy)benzoate
SMILESCOC(=O)c1ccc(Oc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C18H20O3/c1-18(2,3)15-7-5-6-8-16(15)21-14-11-9-13(10-12-14)17(19)20-4/h5-12H,1-4H3
InChIKeyFEDGSBDZOVPLHU-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.56
Rot. Bonds3

About methyl 4-(2-tert-butylphenoxy)benzoate

methyl 4-(2-tert-butylphenoxy)benzoate (PubChem CID 91084435) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 4-(2-tert-butylphenoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-tert-butylphenoxy)benzoate
PubChem CID91084435
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namemethyl 4-(2-tert-butylphenoxy)benzoate
SMILESCOC(=O)c1ccc(Oc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C18H20O3/c1-18(2,3)15-7-5-6-8-16(15)21-14-11-9-13(10-12-14)17(19)20-4/h5-12H,1-4H3
InChIKeyFEDGSBDZOVPLHU-UHFFFAOYSA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-cyano-3-(4-methoxycarbonylphenoxy)phenoxy]benzoate
CID 167528549
methyl 4-[[5,8,11,20-tetrakis(4-methoxycarbonylphenoxy)-2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaenyl]oxy]benzoate
CID 44542692
methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
(2-tert-butylphenyl) benzoate
CID 734595
1-[4-(2-tert-butylphenoxy)phenyl]ethanol
CID 43506360
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 3-tert-butyl-4-hydroperoxybenzoate
CID 143859954
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-(2,3-dicyanophenoxy)benzoate
CID 902671
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-tert-butylphenoxy)benzoate?
The IUPAC name of methyl 4-(2-tert-butylphenoxy)benzoate (CID 91084435) is methyl 4-(2-tert-butylphenoxy)benzoate.
What is the SMILES notation for methyl 4-(2-tert-butylphenoxy)benzoate?
The canonical SMILES for methyl 4-(2-tert-butylphenoxy)benzoate is COC(=O)c1ccc(Oc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of methyl 4-(2-tert-butylphenoxy)benzoate?
The InChIKey is FEDGSBDZOVPLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-18(2,3)15-7-5-6-8-16(15)21-14-11-9-13(10-12-14)17(19)20-4/h5-12H,1-4H3.
What are the key properties of methyl 4-(2-tert-butylphenoxy)benzoate?
methyl 4-(2-tert-butylphenoxy)benzoate has a molecular weight of 284.36 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-tert-butylphenoxy)benzoate is sourced from PubChem (CID 91084435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).