tert-butyl 4-(2-methoxyphenyl)benzoate

C18H20O3 — CID 134941633

IUPACtert-butyl 4-(2-methoxyphenyl)benzoate
SMILESCOc1ccccc1-c1ccc(C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H20O3/c1-18(2,3)21-17(19)14-11-9-13(10-12-14)15-7-5-6-8-16(15)20-4/h5-12H,1-4H3
InChIKeyMLFRNLJPEMJFGX-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.32
Rot. Bonds3

About tert-butyl 4-(2-methoxyphenyl)benzoate

tert-butyl 4-(2-methoxyphenyl)benzoate (PubChem CID 134941633) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl 4-(2-methoxyphenyl)benzoate.

Molecular Properties

Compound Nametert-butyl 4-(2-methoxyphenyl)benzoate
PubChem CID134941633
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Nametert-butyl 4-(2-methoxyphenyl)benzoate
SMILESCOc1ccccc1-c1ccc(C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H20O3/c1-18(2,3)21-17(19)14-11-9-13(10-12-14)15-7-5-6-8-16(15)20-4/h5-12H,1-4H3
InChIKeyMLFRNLJPEMJFGX-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]benzoate
CID 173271816
tert-butyl 4-[2-(hydroxymethyl)-3-methoxyphenyl]benzoate
CID 178183491
tert-butyl 4-(2-methylphenyl)benzoate
CID 139686014
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
CID 162139404
CID 162139404
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl 4-(2-formyl-3-phenylmethoxyphenyl)benzoate
CID 178183494
tert-butyl 4-(4-acetylphenyl)benzoate
CID 143956110
tert-butyl 4-(3-ethoxy-2-ethynylphenyl)benzoate
CID 178183501
(E)-3-[4-(2-methoxyphenyl)phenyl]but-2-enoic acid
CID 82092538
tert-butyl 4-(4-formyl-3-methoxyphenyl)benzoate
CID 178183642

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methoxyphenyl)benzoate?
The IUPAC name of tert-butyl 4-(2-methoxyphenyl)benzoate (CID 134941633) is tert-butyl 4-(2-methoxyphenyl)benzoate.
What is the SMILES notation for tert-butyl 4-(2-methoxyphenyl)benzoate?
The canonical SMILES for tert-butyl 4-(2-methoxyphenyl)benzoate is COc1ccccc1-c1ccc(C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 4-(2-methoxyphenyl)benzoate?
The InChIKey is MLFRNLJPEMJFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-18(2,3)21-17(19)14-11-9-13(10-12-14)15-7-5-6-8-16(15)20-4/h5-12H,1-4H3.
What are the key properties of tert-butyl 4-(2-methoxyphenyl)benzoate?
tert-butyl 4-(2-methoxyphenyl)benzoate has a molecular weight of 284.36 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methoxyphenyl)benzoate is sourced from PubChem (CID 134941633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).