tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate

C20H24O3 — CID 70856270

IUPACtert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
SMILESCc1cc(OCc2ccccc2)ccc1CC(=O)OC(C)(C)C
InChIInChI=1S/C20H24O3/c1-15-12-18(22-14-16-8-6-5-7-9-16)11-10-17(15)13-19(21)23-20(2,3)4/h5-12H,13-14H2,1-4H3
InChIKeyRUNGGFNZCGBWRQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.46
Rot. Bonds5

About tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate

tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate (PubChem CID 70856270) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
PubChem CID70856270
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Nametert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
SMILESCc1cc(OCc2ccccc2)ccc1CC(=O)OC(C)(C)C
InChIInChI=1S/C20H24O3/c1-15-12-18(22-14-16-8-6-5-7-9-16)11-10-17(15)13-19(21)23-20(2,3)4/h5-12H,13-14H2,1-4H3
InChIKeyRUNGGFNZCGBWRQ-UHFFFAOYSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid
CID 154014889
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
1-(2-methyl-4-phenylmethoxyphenyl)heptan-4-one
CID 83937135
N-methyl-1-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 82553597
tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate
CID 86073966
tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate
CID 156901287
2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol
CID 59768381
2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene
CID 83937148
tert-butyl 2-(2-phenylmethoxy-6,7-dihydropyrido[1,2-a]indol-9-yl)acetate
CID 69416960
tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate
CID 58020516

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate?
The IUPAC name of tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate (CID 70856270) is tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate.
What is the SMILES notation for tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate?
The canonical SMILES for tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate is Cc1cc(OCc2ccccc2)ccc1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate?
The InChIKey is RUNGGFNZCGBWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-15-12-18(22-14-16-8-6-5-7-9-16)11-10-17(15)13-19(21)23-20(2,3)4/h5-12H,13-14H2,1-4H3.
What are the key properties of tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate?
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate has a molecular weight of 312.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate is sourced from PubChem (CID 70856270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).