propyl (2R)-2-phenylpropanoate

C12H16O2 — CID 14926551

IUPACpropyl (2R)-2-phenylpropanoate
SMILESCCCOC(=O)[C@H](C)c1ccccc1
InChIInChI=1S/C12H16O2/c1-3-9-14-12(13)10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m1/s1
InChIKeyUTCZKUBBYSOMTC-SNVBAGLBSA-N
MW192.26 g/mol
LogP2.74
Rot. Bonds4

About propyl (2R)-2-phenylpropanoate

propyl (2R)-2-phenylpropanoate (PubChem CID 14926551) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is propyl (2R)-2-phenylpropanoate.

Molecular Properties

Compound Namepropyl (2R)-2-phenylpropanoate
PubChem CID14926551
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Namepropyl (2R)-2-phenylpropanoate
SMILESCCCOC(=O)[C@H](C)c1ccccc1
InChIInChI=1S/C12H16O2/c1-3-9-14-12(13)10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m1/s1
InChIKeyUTCZKUBBYSOMTC-SNVBAGLBSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2S)-2-phenylpropanoate
CID 7204861
pentyl (2S)-2-phenylpropanoate
CID 70845237
2-cyanoethyl 2-phenylpropanoate
CID 172839466
2-hydroxypentyl 2-phenylpropanoate
CID 168936674
dipropyl 2-(3-methyl-1-phenylbutyl)propanedioate
CID 118088376
1-phenylpropyl 2-phenylpropanoate
CID 174489936
8-pyridin-1-ium-1-yloctyl (2S)-2-phenylpropanoate bromide
CID 155905328
2,2,2-trifluoroethyl (2S)-2-phenylpropanoate
CID 100921742
propyl (3S)-3-hydroxy-3-phenylpropanoate
CID 102185519
propyl 3-ethoxy-2-phenylpropanoate
CID 138629515
2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate
CID 66702239
pentyl 2-(4-methylphenyl)propanoate
CID 155662339

Frequently Asked Questions

What is the IUPAC name of propyl (2R)-2-phenylpropanoate?
The IUPAC name of propyl (2R)-2-phenylpropanoate (CID 14926551) is propyl (2R)-2-phenylpropanoate.
What is the SMILES notation for propyl (2R)-2-phenylpropanoate?
The canonical SMILES for propyl (2R)-2-phenylpropanoate is CCCOC(=O)[C@H](C)c1ccccc1.
What is the InChIKey of propyl (2R)-2-phenylpropanoate?
The InChIKey is UTCZKUBBYSOMTC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-9-14-12(13)10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m1/s1.
What are the key properties of propyl (2R)-2-phenylpropanoate?
propyl (2R)-2-phenylpropanoate has a molecular weight of 192.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2R)-2-phenylpropanoate is sourced from PubChem (CID 14926551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).