(2-methyl-5-phenylpentan-2-yl) benzoate

C19H22O2 — CID 118040368

IUPAC(2-methyl-5-phenylpentan-2-yl) benzoate
SMILESCC(C)(CCCc1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C19H22O2/c1-19(2,15-9-12-16-10-5-3-6-11-16)21-18(20)17-13-7-4-8-14-17/h3-8,10-11,13-14H,9,12,15H2,1-2H3
InChIKeyPRZDGTDKQXPXCQ-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.64
Rot. Bonds6

About (2-methyl-5-phenylpentan-2-yl) benzoate

(2-methyl-5-phenylpentan-2-yl) benzoate (PubChem CID 118040368) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2-methyl-5-phenylpentan-2-yl) benzoate.

Molecular Properties

Compound Name(2-methyl-5-phenylpentan-2-yl) benzoate
PubChem CID118040368
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(2-methyl-5-phenylpentan-2-yl) benzoate
SMILESCC(C)(CCCc1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C19H22O2/c1-19(2,15-9-12-16-10-5-3-6-11-16)21-18(20)17-13-7-4-8-14-17/h3-8,10-11,13-14H,9,12,15H2,1-2H3
InChIKeyPRZDGTDKQXPXCQ-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate
CID 150202343
2-methylpentan-2-yl benzoate;hydrate
CID 162320835
bis(2-methyl-4-phenylbutan-2-yl) oxalate
CID 163946478
(3-phenylpropylamino) benzoate
CID 87745139
2,2-difluoro-1,5-diphenylpentan-1-one
CID 176909936
CID 162139404
CID 162139404
[(2S)-1-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)oxycarbonylamino]propan-2-yl]carbamic acid
CID 141462729
[4-[(E)-2-(3,3-dimethyl-4-oxo-4-phenylbutoxy)ethenoxy]-2-methylbutan-2-yl] benzoate
CID 142135793
[2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate
CID 150377351
2-methyl-2-(4-phenylbutyl)propanedioic acid
CID 22618855
2-tert-butyl-2-(5-phenylpentyl)propanedioic acid
CID 139782915
tert-butyl 3-phenylpropyl carbonate
CID 24789021

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-phenylpentan-2-yl) benzoate?
The IUPAC name of (2-methyl-5-phenylpentan-2-yl) benzoate (CID 118040368) is (2-methyl-5-phenylpentan-2-yl) benzoate.
What is the SMILES notation for (2-methyl-5-phenylpentan-2-yl) benzoate?
The canonical SMILES for (2-methyl-5-phenylpentan-2-yl) benzoate is CC(C)(CCCc1ccccc1)OC(=O)c1ccccc1.
What is the InChIKey of (2-methyl-5-phenylpentan-2-yl) benzoate?
The InChIKey is PRZDGTDKQXPXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-19(2,15-9-12-16-10-5-3-6-11-16)21-18(20)17-13-7-4-8-14-17/h3-8,10-11,13-14H,9,12,15H2,1-2H3.
What are the key properties of (2-methyl-5-phenylpentan-2-yl) benzoate?
(2-methyl-5-phenylpentan-2-yl) benzoate has a molecular weight of 282.38 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-phenylpentan-2-yl) benzoate is sourced from PubChem (CID 118040368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).