methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate

C14H18O2 — CID 125466881

IUPACmethyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate
SMILESC/C=C(\C)c1cccc([C@@H](C)C(=O)OC)c1
InChIInChI=1S/C14H18O2/c1-5-10(2)12-7-6-8-13(9-12)11(3)14(15)16-4/h5-9,11H,1-4H3/b10-5+/t11-/m1/s1
InChIKeyQKSZJPCKLAOULH-IGLBNKAOSA-N
MW218.30 g/mol
LogP3.39
Rot. Bonds3

About methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate

methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate (PubChem CID 125466881) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate
PubChem CID125466881
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namemethyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate
SMILESC/C=C(\C)c1cccc([C@@H](C)C(=O)OC)c1
InChIInChI=1S/C14H18O2/c1-5-10(2)12-7-6-8-13(9-12)11(3)14(15)16-4/h5-9,11H,1-4H3/b10-5+/t11-/m1/s1
InChIKeyQKSZJPCKLAOULH-IGLBNKAOSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate
CID 10590178
ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate
CID 68528619
methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
CID 124604133
methyl 3-[(1S)-1-amino-2,2-difluoroethyl]benzoate
CID 171250947
methyl 3-[(1R)-1-amino-2,2-difluoroethyl]benzoate;hydrochloride
CID 171244216
methyl 3-[(1S)-1-amino-2,2-difluoroethyl]benzoate;hydrochloride
CID 171250948
methyl 2-[3-(4-tritiophenoxy)phenyl]propanoate
CID 162424494
methyl 3-[(1S)-1-aminoethyl]benzoate;hydrochloride
CID 74889916
methyl 3-[(1S)-1-amino-2-methoxy-2-oxoethyl]benzoate
CID 171213776
methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate
CID 115039579
propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate
CID 129318918
2-chloroethyl (2S)-2-(3-benzoylphenyl)propanoate
CID 101053199

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate?
The IUPAC name of methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate (CID 125466881) is methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate.
What is the SMILES notation for methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate?
The canonical SMILES for methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate is C/C=C(\C)c1cccc([C@@H](C)C(=O)OC)c1.
What is the InChIKey of methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate?
The InChIKey is QKSZJPCKLAOULH-IGLBNKAOSA-N. The full InChI is InChI=1S/C14H18O2/c1-5-10(2)12-7-6-8-13(9-12)11(3)14(15)16-4/h5-9,11H,1-4H3/b10-5+/t11-/m1/s1.
What are the key properties of methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate?
methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate has a molecular weight of 218.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate is sourced from PubChem (CID 125466881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).