ethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate

C16H18O4 — CID 132919286

IUPACethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)C[C@@H](c1cccc(OC)c1)c1ccco1
InChIInChI=1S/C16H18O4/c1-3-19-16(17)11-14(15-8-5-9-20-15)12-6-4-7-13(10-12)18-2/h4-10,14H,3,11H2,1-2H3/t14-/m0/s1
InChIKeyOMKMINBWFAXBIZ-AWEZNQCLSA-N
MW274.32 g/mol
LogP3.37
Rot. Bonds6

About ethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate

ethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate (PubChem CID 132919286) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate
PubChem CID132919286
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Nameethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)C[C@@H](c1cccc(OC)c1)c1ccco1
InChIInChI=1S/C16H18O4/c1-3-19-16(17)11-14(15-8-5-9-20-15)12-6-4-7-13(10-12)18-2/h4-10,14H,3,11H2,1-2H3/t14-/m0/s1
InChIKeyOMKMINBWFAXBIZ-AWEZNQCLSA-N
XLogP3.37
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
ethyl 4-chloro-4-(3-methoxyphenyl)butanoate
CID 82366901
ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate
CID 103258076
ethyl (3S)-3-amino-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate
CID 140935488
ethyl 3-[(2-iodo-3-methylbenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55879116
methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate
CID 67298001
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
2-[furan-2-yl-(3-methoxyphenyl)methoxy]ethanamine
CID 112501208
ethyl 4-(furan-2-yl)-3-(4-methoxyphenyl)-4-oxobutanoate
CID 165348272
ethyl (3S)-3-(furan-2-yl)-3-(hydroxyamino)propanoate
CID 125473077
ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55880256
(1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one
CID 24826621

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate?
The IUPAC name of ethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate (CID 132919286) is ethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate?
The canonical SMILES for ethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate is CCOC(=O)C[C@@H](c1cccc(OC)c1)c1ccco1.
What is the InChIKey of ethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate?
The InChIKey is OMKMINBWFAXBIZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18O4/c1-3-19-16(17)11-14(15-8-5-9-20-15)12-6-4-7-13(10-12)18-2/h4-10,14H,3,11H2,1-2H3/t14-/m0/s1.
What are the key properties of ethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate?
ethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate has a molecular weight of 274.32 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate is sourced from PubChem (CID 132919286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).