(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate

C20H24O3 — CID 20537091

IUPAC(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate
SMILESCOc1ccc(COC(=O)Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H24O3/c1-20(2,3)17-9-5-15(6-10-17)13-19(21)23-14-16-7-11-18(22-4)12-8-16/h5-12H,13-14H2,1-4H3
InChIKeyFRFKZQKHAMIEIN-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.28
Rot. Bonds5

About (4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate

(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate (PubChem CID 20537091) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate
PubChem CID20537091
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate
SMILESCOc1ccc(COC(=O)Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H24O3/c1-20(2,3)17-9-5-15(6-10-17)13-19(21)23-14-16-7-11-18(22-4)12-8-16/h5-12H,13-14H2,1-4H3
InChIKeyFRFKZQKHAMIEIN-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)methyl 2-(4-nitrophenyl)acetate
CID 925980
4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 795496
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
[3-(acetyloxymethyl)phenyl]methyl 2-[4-[2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl]acetate
CID 66804734
(2-methoxyphenyl)methyl 2-(4-methoxyphenyl)acetate
CID 78760060
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 141285444
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
CID 4185935
bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate
CID 19075817
(4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate
CID 61304700
2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid
CID 20985349

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate?
The IUPAC name of (4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate (CID 20537091) is (4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate is COc1ccc(COC(=O)Cc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate?
The InChIKey is FRFKZQKHAMIEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-20(2,3)17-9-5-15(6-10-17)13-19(21)23-14-16-7-11-18(22-4)12-8-16/h5-12H,13-14H2,1-4H3.
What are the key properties of (4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate?
(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate has a molecular weight of 312.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate is sourced from PubChem (CID 20537091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).