oxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate

C16H20O5 — CID 77389677

IUPACoxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate
SMILESO=C(C=Cc1ccc(OCCO)cc1)OC1CCCCO1
InChIInChI=1S/C16H20O5/c17-10-12-19-14-7-4-13(5-8-14)6-9-15(18)21-16-3-1-2-11-20-16/h4-9,16-17H,1-3,10-12H2
InChIKeyYEDKHQYYPOOFFH-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.14
Rot. Bonds6

About oxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate

oxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate (PubChem CID 77389677) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is oxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameoxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate
PubChem CID77389677
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Nameoxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate
SMILESO=C(C=Cc1ccc(OCCO)cc1)OC1CCCCO1
InChIInChI=1S/C16H20O5/c17-10-12-19-14-7-4-13(5-8-14)6-9-15(18)21-16-3-1-2-11-20-16/h4-9,16-17H,1-3,10-12H2
InChIKeyYEDKHQYYPOOFFH-UHFFFAOYSA-N
XLogP2.14
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

oxan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
CID 77389680
[4-[4-[3-(oxan-2-yloxy)propyl]phenyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 145390116
6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol
CID 70836225
cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate
CID 166880070
bis(oxolan-2-yl) (E)-but-2-enedioate
CID 70212564
3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one
CID 50742117
(E)-3-[4-[2-[4-[(E)-3-chloro-3-oxoprop-1-enyl]phenoxy]ethoxy]phenyl]prop-2-enoyl chloride
CID 102169357
ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate
CID 142704315
[4-[(E)-3-[(2R)-2-(oxan-2-yloxy)-2-phenylethoxy]-3-oxoprop-1-enyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 11534711
(Z)-4-(oxan-2-yloxy)-4-oxobut-2-enoate
CID 86745284
[(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (E)-3-(4-butoxyphenyl)prop-2-enoate
CID 166881113
1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 146223486

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate?
The IUPAC name of oxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate (CID 77389677) is oxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for oxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate?
The canonical SMILES for oxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate is O=C(C=Cc1ccc(OCCO)cc1)OC1CCCCO1.
What is the InChIKey of oxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate?
The InChIKey is YEDKHQYYPOOFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c17-10-12-19-14-7-4-13(5-8-14)6-9-15(18)21-16-3-1-2-11-20-16/h4-9,16-17H,1-3,10-12H2.
What are the key properties of oxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate?
oxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate has a molecular weight of 292.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 77389677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).