ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate

C17H24O4 — CID 141374612

IUPACethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate
SMILESCCOC(=O)C(=Cc1ccccc1)OCCCCCCO
InChIInChI=1S/C17H24O4/c1-2-20-17(19)16(14-15-10-6-5-7-11-15)21-13-9-4-3-8-12-18/h5-7,10-11,14,18H,2-4,8-9,12-13H2,1H3
InChIKeyBAASVSNNZAIIRG-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.16
Rot. Bonds10

About ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate

ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate (PubChem CID 141374612) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate
PubChem CID141374612
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Nameethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate
SMILESCCOC(=O)C(=Cc1ccccc1)OCCCCCCO
InChIInChI=1S/C17H24O4/c1-2-20-17(19)16(14-15-10-6-5-7-11-15)21-13-9-4-3-8-12-18/h5-7,10-11,14,18H,2-4,8-9,12-13H2,1H3
InChIKeyBAASVSNNZAIIRG-UHFFFAOYSA-N
XLogP3.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate
CID 140781645
ethyl (E)-2-butoxy-3-phenylprop-2-enoate
CID 70582415
ethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate
CID 175073664
decyl 2-methoxy-3-phenylprop-2-enoate
CID 164571010
ethyl 2-phenoxy-3-phenylprop-2-enoate
CID 72829048
zinc;octyl 2-methoxy-3-phenylprop-2-enoate;oxygen(2-)
CID 158496796
2-methoxy-3-phenylprop-2-enoic acid;octyl 2-methoxy-3-phenylprop-2-enoate
CID 162017685
2-butoxy-1,3-diphenylprop-2-en-1-one
CID 57177461
ethyl (Z)-2-(bromomethyl)-3-phenyl(313C)prop-2-enoate
CID 11369236
3-pentoxy-1,4-diphenylbuta-1,3-dien-2-ol
CID 87853239
hexyl 2-methyl-3-phenylprop-2-enoate
CID 174586254
ethyl 2-benzylidenedecanoate
CID 70212022

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate?
The IUPAC name of ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate (CID 141374612) is ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate?
The canonical SMILES for ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate is CCOC(=O)C(=Cc1ccccc1)OCCCCCCO.
What is the InChIKey of ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate?
The InChIKey is BAASVSNNZAIIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-2-20-17(19)16(14-15-10-6-5-7-11-15)21-13-9-4-3-8-12-18/h5-7,10-11,14,18H,2-4,8-9,12-13H2,1H3.
What are the key properties of ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate?
ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate has a molecular weight of 292.38 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate is sourced from PubChem (CID 141374612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).