ethyl (2S)-2-dibenzofuran-4-yloxypropanoate

C17H16O4 — CID 129404181

IUPACethyl (2S)-2-dibenzofuran-4-yloxypropanoate
SMILESCCOC(=O)[C@H](C)Oc1cccc2c1oc1ccccc12
InChIInChI=1S/C17H16O4/c1-3-19-17(18)11(2)20-15-10-6-8-13-12-7-4-5-9-14(12)21-16(13)15/h4-11H,3H2,1-2H3/t11-/m0/s1
InChIKeyYRLQRKGBECQTIW-NSHDSACASA-N
MW284.31 g/mol
LogP3.92
Rot. Bonds4

About ethyl (2S)-2-dibenzofuran-4-yloxypropanoate

ethyl (2S)-2-dibenzofuran-4-yloxypropanoate (PubChem CID 129404181) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl (2S)-2-dibenzofuran-4-yloxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-dibenzofuran-4-yloxypropanoate
PubChem CID129404181
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Nameethyl (2S)-2-dibenzofuran-4-yloxypropanoate
SMILESCCOC(=O)[C@H](C)Oc1cccc2c1oc1ccccc12
InChIInChI=1S/C17H16O4/c1-3-19-17(18)11(2)20-15-10-6-8-13-12-7-4-5-9-14(12)21-16(13)15/h4-11H,3H2,1-2H3/t11-/m0/s1
InChIKeyYRLQRKGBECQTIW-NSHDSACASA-N
XLogP3.92
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-oxochromen-4-yl)oxypropanoate
CID 5135792
O-ethyl 2-dibenzofuran-1-yloxypropanethioate
CID 87312649
ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 3374835
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanoate
CID 78931073
ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate
CID 56931322
ethyl 2-[2-(bromomethyl)phenoxy]propanoate
CID 11808300
ethyl 3-dibenzofuran-4-ylprop-2-enoate
CID 169481101
ethyl (2R)-2-(3-formyl-2-methoxyphenoxy)propanoate
CID 95239892
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate
CID 125497694
ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate
CID 125497853
ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate
CID 11427072

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-dibenzofuran-4-yloxypropanoate?
The IUPAC name of ethyl (2S)-2-dibenzofuran-4-yloxypropanoate (CID 129404181) is ethyl (2S)-2-dibenzofuran-4-yloxypropanoate.
What is the SMILES notation for ethyl (2S)-2-dibenzofuran-4-yloxypropanoate?
The canonical SMILES for ethyl (2S)-2-dibenzofuran-4-yloxypropanoate is CCOC(=O)[C@H](C)Oc1cccc2c1oc1ccccc12.
What is the InChIKey of ethyl (2S)-2-dibenzofuran-4-yloxypropanoate?
The InChIKey is YRLQRKGBECQTIW-NSHDSACASA-N. The full InChI is InChI=1S/C17H16O4/c1-3-19-17(18)11(2)20-15-10-6-8-13-12-7-4-5-9-14(12)21-16(13)15/h4-11H,3H2,1-2H3/t11-/m0/s1.
What are the key properties of ethyl (2S)-2-dibenzofuran-4-yloxypropanoate?
ethyl (2S)-2-dibenzofuran-4-yloxypropanoate has a molecular weight of 284.31 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-dibenzofuran-4-yloxypropanoate is sourced from PubChem (CID 129404181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).