[4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate

C19H22O2 — CID 89484565

IUPAC[4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1ccc(-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H22O2/c1-13(2)15-5-7-16(8-6-15)17-9-11-18(12-10-17)21-19(20)14(3)4/h5-14H,1-4H3
InChIKeyGVHJXWIXLUSNKL-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.04
Rot. Bonds4

About [4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate

[4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate (PubChem CID 89484565) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is [4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate.

Molecular Properties

Compound Name[4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate
PubChem CID89484565
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name[4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1ccc(-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H22O2/c1-13(2)15-5-7-16(8-6-15)17-9-11-18(12-10-17)21-19(20)14(3)4/h5-14H,1-4H3
InChIKeyGVHJXWIXLUSNKL-UHFFFAOYSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.04
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-propan-2-ylphenyl) 2-methylpropanoate
CID 122674718
(4-propan-2-ylphenyl) carbamate
CID 57008477
(4-aminophenyl) 2-methylpropanoate;hydrochloride
CID 174366284
(4-butan-2-ylphenyl) 2-methylpropanoate
CID 155645541
[7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate
CID 4011744
(4-propan-2-ylphenyl) (Z)-4-amino-4-oxobut-2-enoate
CID 67832284
(4-methylphenyl) 4-propan-2-ylbenzoate
CID 1406523
[4-(2-iodopropanoyloxy)phenyl]-bis(4-propan-2-ylphenyl)sulfanium
CID 156684285
[4-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]anilino]phenyl]phenyl] 2-methylpropanoate
CID 148930782
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
(4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate
CID 19221602
[4-[3-methyl-2,3,4,5-tetrakis[4-(2-methylpropanoyloxy)phenyl]cyclopenta-1,4-dien-1-yl]phenyl] 2-methylpropanoate
CID 101385506

Frequently Asked Questions

What is the IUPAC name of [4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate?
The IUPAC name of [4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate (CID 89484565) is [4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate.
What is the SMILES notation for [4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate?
The canonical SMILES for [4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate is CC(C)C(=O)Oc1ccc(-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of [4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate?
The InChIKey is GVHJXWIXLUSNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-13(2)15-5-7-16(8-6-15)17-9-11-18(12-10-17)21-19(20)14(3)4/h5-14H,1-4H3.
What are the key properties of [4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate?
[4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate has a molecular weight of 282.38 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate is sourced from PubChem (CID 89484565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).