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

C22H26O4 — CID 91024037

IUPACethyl 2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enoate
SMILESCCOC(=O)C(=C(CC)c1ccc(C)cc1)c1ccc(OCOC)cc1
InChIInChI=1S/C22H26O4/c1-5-20(17-9-7-16(3)8-10-17)21(22(23)25-6-2)18-11-13-19(14-12-18)26-15-24-4/h7-14H,5-6,15H2,1-4H3
InChIKeyKPWHOGSQTBXSMV-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.86
Rot. Bonds8

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

ethyl 2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enoate (PubChem CID 91024037) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is ethyl 2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enoate.

Molecular Properties

Compound Nameethyl 2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enoate
PubChem CID91024037
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Nameethyl 2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enoate
SMILESCCOC(=O)C(=C(CC)c1ccc(C)cc1)c1ccc(OCOC)cc1
InChIInChI=1S/C22H26O4/c1-5-20(17-9-7-16(3)8-10-17)21(22(23)25-6-2)18-11-13-19(14-12-18)26-15-24-4/h7-14H,5-6,15H2,1-4H3
InChIKeyKPWHOGSQTBXSMV-UHFFFAOYSA-N
XLogP4.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate
CID 91319717
(E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid
CID 68731850
(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide
CID 68985432
ethyl 2-[3-fluoro-4-(methoxymethoxy)phenyl]-3-phenylpent-2-enoate
CID 90914839
ethyl 3,3-difluoro-2-(4-methylphenyl)prop-2-enoate
CID 25002773
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 138319933
methoxymethyl 4-(methoxymethoxy)benzoate
CID 142723008
ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate
CID 177397823
ethyl N-[4-(methoxymethoxy)phenyl]carbamate
CID 19896200
diethyl 2-[amino-(4-methylphenyl)methylidene]propanedioate
CID 174582016
1,4-bis(methoxymethoxy)benzene
CID 542643
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enoate?
The IUPAC name of ethyl 2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enoate (CID 91024037) is ethyl 2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enoate.
What is the SMILES notation for ethyl 2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enoate?
The canonical SMILES for ethyl 2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enoate is CCOC(=O)C(=C(CC)c1ccc(C)cc1)c1ccc(OCOC)cc1.
What is the InChIKey of ethyl 2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enoate?
The InChIKey is KPWHOGSQTBXSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c1-5-20(17-9-7-16(3)8-10-17)21(22(23)25-6-2)18-11-13-19(14-12-18)26-15-24-4/h7-14H,5-6,15H2,1-4H3.
What are the key properties of ethyl 2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enoate?
ethyl 2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enoate has a molecular weight of 354.45 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enoate is sourced from PubChem (CID 91024037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).