methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate

C14H20O2 — CID 124604133

IUPACmethyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
SMILESCOC(=O)[C@H](C)c1cccc(CC(C)C)c1
InChIInChI=1S/C14H20O2/c1-10(2)8-12-6-5-7-13(9-12)11(3)14(15)16-4/h5-7,9-11H,8H2,1-4H3/t11-/m1/s1
InChIKeyQADIVLREUOLPGP-LLVKDONJSA-N
MW220.31 g/mol
LogP3.16
Rot. Bonds4

About methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate

methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate (PubChem CID 124604133) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
PubChem CID124604133
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Namemethyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
SMILESCOC(=O)[C@H](C)c1cccc(CC(C)C)c1
InChIInChI=1S/C14H20O2/c1-10(2)8-12-6-5-7-13(9-12)11(3)14(15)16-4/h5-7,9-11H,8H2,1-4H3/t11-/m1/s1
InChIKeyQADIVLREUOLPGP-LLVKDONJSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[3-(2-methylpropyl)phenyl]propanamide
CID 124743513
methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate
CID 115039579
methyl 2-[3-(2-methylpropyl)phenyl]hexanoate
CID 116545509
methyl 2-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]propanoate
CID 150702826
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
ethyl 2-methyl-3-[3-(2-methylpropyl)phenyl]propanoate
CID 134600479
methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate
CID 125466881
2-[3-(2-methylpropyl)phenyl]propanal
CID 105444490
3-(2-methylpropyl)benzamide
CID 23130390
3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 112705581
2-[3-(2,2-difluoroethyl)phenyl]propanoic acid
CID 84680241
3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one
CID 116543141

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate (CID 124604133) is methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate is COC(=O)[C@H](C)c1cccc(CC(C)C)c1.
What is the InChIKey of methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate?
The InChIKey is QADIVLREUOLPGP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(2)8-12-6-5-7-13(9-12)11(3)14(15)16-4/h5-7,9-11H,8H2,1-4H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate?
methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate has a molecular weight of 220.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 124604133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).