propan-2-yl 2-(2-phenylpropan-2-yl)benzoate

C19H22O2 — CID 175400116

IUPACpropan-2-yl 2-(2-phenylpropan-2-yl)benzoate
SMILESCC(C)OC(=O)c1ccccc1C(C)(C)c1ccccc1
InChIInChI=1S/C19H22O2/c1-14(2)21-18(20)16-12-8-9-13-17(16)19(3,4)15-10-6-5-7-11-15/h5-14H,1-4H3
InChIKeyGESKPYYLLZZSPU-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.58
Rot. Bonds4

About propan-2-yl 2-(2-phenylpropan-2-yl)benzoate

propan-2-yl 2-(2-phenylpropan-2-yl)benzoate (PubChem CID 175400116) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is propan-2-yl 2-(2-phenylpropan-2-yl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-phenylpropan-2-yl)benzoate
PubChem CID175400116
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Namepropan-2-yl 2-(2-phenylpropan-2-yl)benzoate
SMILESCC(C)OC(=O)c1ccccc1C(C)(C)c1ccccc1
InChIInChI=1S/C19H22O2/c1-14(2)21-18(20)16-12-8-9-13-17(16)19(3,4)15-10-6-5-7-11-15/h5-14H,1-4H3
InChIKeyGESKPYYLLZZSPU-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-tert-butyl-2-(2-phenylpropan-2-yl)benzoyl] 3-tert-butyl-2-(2-phenylpropan-2-yl)benzenecarboperoxoate
CID 89456061
propan-2-yl 2-amino-3-(trifluoromethyl)benzoate
CID 60837934
propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate
CID 66977286
diphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium
CID 102464972
1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol
CID 174757084
1-phenylethyl 2-tert-butyl-3-(trifluoromethyl)benzoate
CID 118040126
(2R)-2-[2-[(1R)-1-carboxy-2,2-dimethylpropoxy]carbonylbenzoyl]oxy-3,3-dimethylbutanoic acid
CID 102177244
propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate
CID 141433722
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
diaziridin-3-one;propan-2-yl 2-methyl-2-phenylpropanoate
CID 70622755
2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
CID 20750066

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-phenylpropan-2-yl)benzoate?
The IUPAC name of propan-2-yl 2-(2-phenylpropan-2-yl)benzoate (CID 175400116) is propan-2-yl 2-(2-phenylpropan-2-yl)benzoate.
What is the SMILES notation for propan-2-yl 2-(2-phenylpropan-2-yl)benzoate?
The canonical SMILES for propan-2-yl 2-(2-phenylpropan-2-yl)benzoate is CC(C)OC(=O)c1ccccc1C(C)(C)c1ccccc1.
What is the InChIKey of propan-2-yl 2-(2-phenylpropan-2-yl)benzoate?
The InChIKey is GESKPYYLLZZSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14(2)21-18(20)16-12-8-9-13-17(16)19(3,4)15-10-6-5-7-11-15/h5-14H,1-4H3.
What are the key properties of propan-2-yl 2-(2-phenylpropan-2-yl)benzoate?
propan-2-yl 2-(2-phenylpropan-2-yl)benzoate has a molecular weight of 282.38 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-phenylpropan-2-yl)benzoate is sourced from PubChem (CID 175400116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).