[4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate

C18H20O2 — CID 19166233

IUPAC[4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate
SMILESCc1ccc(-c2ccc(OC(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C18H20O2/c1-13-5-7-14(8-6-13)15-9-11-16(12-10-15)20-17(19)18(2,3)4/h5-12H,1-4H3
InChIKeyBOHZDGZGNGPZDB-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.61
Rot. Bonds2

About [4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate

[4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate (PubChem CID 19166233) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is [4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate
PubChem CID19166233
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name[4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate
SMILESCc1ccc(-c2ccc(OC(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C18H20O2/c1-13-5-7-14(8-6-13)15-9-11-16(12-10-15)20-17(19)18(2,3)4/h5-12H,1-4H3
InChIKeyBOHZDGZGNGPZDB-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(4-bromophenyl)phenyl] 2,2-dimethylpropanoate
CID 22447512
(2-deuterio-4-methylphenyl) 2,2-dimethylpropanoate
CID 135041474
(4-methylphenyl) 2,2,3-trimethylbutanoate
CID 143509662
[4-(4-methylphenyl)phenyl] 2-ethyl-2,4,4-trimethylpentanoate
CID 89035764
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
Propanoic acid, 2,2-dimethyl-, 4-sulfophenyl ester, sodium salt (1:1)
CID 57369946
[4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate
CID 19171847
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
[4-[1-[4-(2,2-dimethylpropanoyloxy)phenyl]-1-(4-methoxyphenyl)ethyl]phenyl] 2,2-dimethylpropanoate
CID 142863748
4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate
CID 161066269
bis(4-methylphenyl) carbonate;ethane
CID 145416039

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate (CID 19166233) is [4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate is Cc1ccc(-c2ccc(OC(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of [4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate?
The InChIKey is BOHZDGZGNGPZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-13-5-7-14(8-6-13)15-9-11-16(12-10-15)20-17(19)18(2,3)4/h5-12H,1-4H3.
What are the key properties of [4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate?
[4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate has a molecular weight of 268.36 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 19166233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).