ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate

C23H28O6 — CID 91319717

IUPACethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate
SMILESCCOC(=O)C(=C(CC)c1ccc(OCOC)cc1)c1ccc(OCOC)cc1
InChIInChI=1S/C23H28O6/c1-5-21(17-7-11-19(12-8-17)28-15-25-3)22(23(24)27-6-2)18-9-13-20(14-10-18)29-16-26-4/h7-14H,5-6,15-16H2,1-4H3
InChIKeyLSOUOZGPPWRXOX-UHFFFAOYSA-N
MW400.47 g/mol
LogP4.54
Rot. Bonds11

About ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate

ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate (PubChem CID 91319717) has the molecular formula C23H28O6 and a molecular weight of 400.47 g/mol. Its IUPAC name is ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate.

Molecular Properties

Compound Nameethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate
PubChem CID91319717
Molecular FormulaC23H28O6
Molecular Weight400.47 g/mol
Exact Mass400.19
IUPAC Nameethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate
SMILESCCOC(=O)C(=C(CC)c1ccc(OCOC)cc1)c1ccc(OCOC)cc1
InChIInChI=1S/C23H28O6/c1-5-21(17-7-11-19(12-8-17)28-15-25-3)22(23(24)27-6-2)18-9-13-20(14-10-18)29-16-26-4/h7-14H,5-6,15-16H2,1-4H3
InChIKeyLSOUOZGPPWRXOX-UHFFFAOYSA-N
XLogP4.54
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enoate
CID 91024037
(E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid
CID 68731850
ethyl 2-[3-fluoro-4-(methoxymethoxy)phenyl]-3-phenylpent-2-enoate
CID 90914839
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 138319933
methoxymethyl 4-(methoxymethoxy)benzoate
CID 142723008
(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide
CID 68985432
ethyl N-[4-(methoxymethoxy)phenyl]carbamate
CID 19896200
1,4-bis(methoxymethoxy)benzene
CID 542643
1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
CID 54405970
ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate
CID 19421674
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]prop-1-enyl]benzene
CID 146169543
ethyl 3-[4-(methoxymethoxy)phenyl]-2-methylsulfanylpropanoate
CID 18692617

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate?
The IUPAC name of ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate (CID 91319717) is ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate.
What is the SMILES notation for ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate?
The canonical SMILES for ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate is CCOC(=O)C(=C(CC)c1ccc(OCOC)cc1)c1ccc(OCOC)cc1.
What is the InChIKey of ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate?
The InChIKey is LSOUOZGPPWRXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O6/c1-5-21(17-7-11-19(12-8-17)28-15-25-3)22(23(24)27-6-2)18-9-13-20(14-10-18)29-16-26-4/h7-14H,5-6,15-16H2,1-4H3.
What are the key properties of ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate?
ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate has a molecular weight of 400.47 g/mol, XLogP of 4.54, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate is sourced from PubChem (CID 91319717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).