(4-tert-butylphenyl)methyl 4-methylbenzoate

C19H22O2 — CID 926039

IUPAC(4-tert-butylphenyl)methyl 4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H22O2/c1-14-5-9-16(10-6-14)18(20)21-13-15-7-11-17(12-8-15)19(2,3)4/h5-12H,13H2,1-4H3
InChIKeyPRGOXEDFIAHQQO-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.65
Rot. Bonds3

About (4-tert-butylphenyl)methyl 4-methylbenzoate

(4-tert-butylphenyl)methyl 4-methylbenzoate (PubChem CID 926039) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (4-tert-butylphenyl)methyl 4-methylbenzoate.

Molecular Properties

Compound Name(4-tert-butylphenyl)methyl 4-methylbenzoate
PubChem CID926039
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(4-tert-butylphenyl)methyl 4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H22O2/c1-14-5-9-16(10-6-14)18(20)21-13-15-7-11-17(12-8-15)19(2,3)4/h5-12H,13H2,1-4H3
InChIKeyPRGOXEDFIAHQQO-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)methyl 4-carbamoylbenzoate
CID 30799344
[4-(trifluoromethyl)phenyl]methyl 4-tert-butylbenzoate
CID 2743784
prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate
CID 21474565
(4-cyanophenyl)methyl 4-tert-butylbenzoate
CID 3961953
(4-tert-butylphenyl)methyl 4-nitrobenzoate
CID 976076
(4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate
CID 137442324
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate
CID 7696392
1,3-benzodioxol-5-ylmethyl 4-tert-butylbenzoate
CID 7891886
benzyl 4-[(4-methylphenyl)diazenyl]benzoate
CID 155439607
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703
ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)methyl 4-methylbenzoate?
The IUPAC name of (4-tert-butylphenyl)methyl 4-methylbenzoate (CID 926039) is (4-tert-butylphenyl)methyl 4-methylbenzoate.
What is the SMILES notation for (4-tert-butylphenyl)methyl 4-methylbenzoate?
The canonical SMILES for (4-tert-butylphenyl)methyl 4-methylbenzoate is Cc1ccc(C(=O)OCc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of (4-tert-butylphenyl)methyl 4-methylbenzoate?
The InChIKey is PRGOXEDFIAHQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14-5-9-16(10-6-14)18(20)21-13-15-7-11-17(12-8-15)19(2,3)4/h5-12H,13H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)methyl 4-methylbenzoate?
(4-tert-butylphenyl)methyl 4-methylbenzoate has a molecular weight of 282.38 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)methyl 4-methylbenzoate is sourced from PubChem (CID 926039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).