ethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate

C16H24O5 — CID 142930615

IUPACethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate
SMILESCC.CCOc1ccc(OCCO)c(/C=C/C(=O)OC)c1
InChIInChI=1S/C14H18O5.C2H6/c1-3-18-12-5-6-13(19-9-8-15)11(10-12)4-7-14(16)17-2;1-2/h4-7,10,15H,3,8-9H2,1-2H3;1-2H3/b7-4+;
InChIKeyNUYXBIQQUINYBJ-KQGICBIGSA-N
MW296.36 g/mol
LogP2.67
Rot. Bonds7

About ethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate

ethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate (PubChem CID 142930615) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is ethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate
PubChem CID142930615
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Nameethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate
SMILESCC.CCOc1ccc(OCCO)c(/C=C/C(=O)OC)c1
InChIInChI=1S/C14H18O5.C2H6/c1-3-18-12-5-6-13(19-9-8-15)11(10-12)4-7-14(16)17-2;1-2/h4-7,10,15H,3,8-9H2,1-2H3;1-2H3/b7-4+;
InChIKeyNUYXBIQQUINYBJ-KQGICBIGSA-N
XLogP2.67
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.67
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

methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
methyl (E)-3-[2-(diethylcarbamoyloxy)-5-methoxyphenyl]prop-2-enoate
CID 71604823
3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 68884286
methyl (E)-3-(2-ethoxy-4-methylphenyl)prop-2-enoate
CID 20596318
(E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 43267828
3-(2,5-diethoxyphenyl)prop-2-enenitrile
CID 54371745
methyl (E)-3-[2-azido-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]prop-2-enoate
CID 21477607
methyl (E)-3-(2,3,4-trihexoxyphenyl)prop-2-enoate
CID 58785374
(E)-3-[2-ethoxy-5-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 170997964
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355
methyl (E)-3-(5-methoxy-2-methylphenyl)prop-2-enoate
CID 13415110
3-(2,5-dibutoxyphenyl)-1-(2,3,5,6-tetrabutoxyphenyl)prop-2-en-1-one
CID 91579414

Frequently Asked Questions

What is the IUPAC name of ethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate?
The IUPAC name of ethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate (CID 142930615) is ethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for ethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate?
The canonical SMILES for ethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate is CC.CCOc1ccc(OCCO)c(/C=C/C(=O)OC)c1.
What is the InChIKey of ethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate?
The InChIKey is NUYXBIQQUINYBJ-KQGICBIGSA-N. The full InChI is InChI=1S/C14H18O5.C2H6/c1-3-18-12-5-6-13(19-9-8-15)11(10-12)4-7-14(16)17-2;1-2/h4-7,10,15H,3,8-9H2,1-2H3;1-2H3/b7-4+;.
What are the key properties of ethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate?
ethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate has a molecular weight of 296.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl (E)-3-[5-ethoxy-2-(2-hydroxyethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 142930615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).