2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate

C19H22O4 — CID 66702130

IUPAC2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate
SMILESCOc1cccc(CCC(=O)OCCc2ccccc2)c1OC
InChIInChI=1S/C19H22O4/c1-21-17-10-6-9-16(19(17)22-2)11-12-18(20)23-14-13-15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3
InChIKeyVVFXZIXHESFLGO-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.42
Rot. Bonds8

About 2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate

2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate (PubChem CID 66702130) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Name2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate
PubChem CID66702130
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate
SMILESCOc1cccc(CCC(=O)OCCc2ccccc2)c1OC
InChIInChI=1S/C19H22O4/c1-21-17-10-6-9-16(19(17)22-2)11-12-18(20)23-14-13-15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3
InChIKeyVVFXZIXHESFLGO-UHFFFAOYSA-N
XLogP3.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55563336
(3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55368923
[3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55368745
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368948
2-phenylethyl 3-[3-[3-oxo-3-(2-phenylethoxy)propyl]phenyl]propanoate
CID 162059275
1-amino-4-(2,3-dimethoxyphenyl)butan-2-one;hydrochloride
CID 67393300
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 7958312
(6-chloro-3-pyridinyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55546324
4-(2,3-dimethoxyphenyl)butanoic acid;hydrochloride
CID 139764480
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dimethoxyphenyl)propanoate
CID 9309288
2-phenylethyl 4-methoxybutanoate
CID 78885647
(2S)-2-amino-3-[3-methoxy-2-(2-phenylethoxy)phenyl]propanoic acid
CID 54555113

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate?
The IUPAC name of 2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate (CID 66702130) is 2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate.
What is the SMILES notation for 2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate?
The canonical SMILES for 2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate is COc1cccc(CCC(=O)OCCc2ccccc2)c1OC.
What is the InChIKey of 2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate?
The InChIKey is VVFXZIXHESFLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-21-17-10-6-9-16(19(17)22-2)11-12-18(20)23-14-13-15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3.
What are the key properties of 2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate?
2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate has a molecular weight of 314.38 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate is sourced from PubChem (CID 66702130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).