ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate

C18H20O5 — CID 11427072

IUPACethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate
SMILESC=CCOc1cccc2c(O[C@H](C)C(=O)OCC)ccc(O)c12
InChIInChI=1S/C18H20O5/c1-4-11-22-16-8-6-7-13-15(10-9-14(19)17(13)16)23-12(3)18(20)21-5-2/h4,6-10,12,19H,1,5,11H2,2-3H3/t12-/m1/s1
InChIKeyXSFWVFCKEDUBEN-GFCCVEGCSA-N
MW316.35 g/mol
LogP3.44
Rot. Bonds7

About ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate

ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate (PubChem CID 11427072) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate
PubChem CID11427072
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Nameethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate
SMILESC=CCOc1cccc2c(O[C@H](C)C(=O)OCC)ccc(O)c12
InChIInChI=1S/C18H20O5/c1-4-11-22-16-8-6-7-13-15(10-9-14(19)17(13)16)23-12(3)18(20)21-5-2/h4,6-10,12,19H,1,5,11H2,2-3H3/t12-/m1/s1
InChIKeyXSFWVFCKEDUBEN-GFCCVEGCSA-N
XLogP3.44
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-prop-2-enoxynaphthalene-1,4-diol
CID 11148628
ethyl (2R)-2-(3-formyl-2-methoxyphenoxy)propanoate
CID 95239892
ethyl 2-[4-[4,6-bis[4-(1-ethoxy-1-oxopropan-2-yl)oxynaphthalen-1-yl]-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate
CID 135553630
ethyl (2S)-2-dibenzofuran-4-yloxypropanoate
CID 129404181
ethyl 3-(4-hydroxy-3-prop-2-enoxyphenyl)butanoate
CID 174368317
2-(4-hydroxynaphthalen-1-yl)oxypropanamide
CID 91696699
ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate
CID 125497853
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanoate
CID 78931073
ethyl 2-[2-(bromomethyl)phenoxy]propanoate
CID 11808300
ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate
CID 56931322
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate
CID 112613216

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate?
The IUPAC name of ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate (CID 11427072) is ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate.
What is the SMILES notation for ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate?
The canonical SMILES for ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate is C=CCOc1cccc2c(O[C@H](C)C(=O)OCC)ccc(O)c12.
What is the InChIKey of ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate?
The InChIKey is XSFWVFCKEDUBEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20O5/c1-4-11-22-16-8-6-7-13-15(10-9-14(19)17(13)16)23-12(3)18(20)21-5-2/h4,6-10,12,19H,1,5,11H2,2-3H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate?
ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate has a molecular weight of 316.35 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(4-hydroxy-5-prop-2-enoxynaphthalen-1-yl)oxypropanoate is sourced from PubChem (CID 11427072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).