methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate

C18H18O6 — CID 11823692

IUPACmethyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(/C=C/C(=O)OC)cc(/C=C/C(=O)OC)c1
InChIInChI=1S/C18H18O6/c1-22-16(19)7-4-13-10-14(5-8-17(20)23-2)12-15(11-13)6-9-18(21)24-3/h4-12H,1-3H3/b7-4+,8-5+,9-6+
InChIKeySWZNPHWOFHOCRI-OTWDQPKHSA-N
MW330.34 g/mol
LogP2.25
Rot. Bonds6

About methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate

methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate (PubChem CID 11823692) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
PubChem CID11823692
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Namemethyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(/C=C/C(=O)OC)cc(/C=C/C(=O)OC)c1
InChIInChI=1S/C18H18O6/c1-22-16(19)7-4-13-10-14(5-8-17(20)23-2)12-15(11-13)6-9-18(21)24-3/h4-12H,1-3H3/b7-4+,8-5+,9-6+
InChIKeySWZNPHWOFHOCRI-OTWDQPKHSA-N
XLogP2.25
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-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

methyl 3-(3,4,5-trichlorophenyl)prop-2-enoate
CID 169478850
methyl (E)-3-[3,5-di(propan-2-yl)phenyl]prop-2-enoate
CID 58782830
methyl 3-(4-chloro-3,5-difluorophenyl)prop-2-enoate
CID 169478853
methyl 3-[3-(2-methylprop-1-enyl)phenyl]prop-2-enoate
CID 139611465
methyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate
CID 102441695
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
methyl (E)-3-(3-amino-5-chloro-4-hydroxyphenyl)prop-2-enoate
CID 70539489
methyl 3-(4-acetyloxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 72738902
methyl (E)-3-[3-(bromoamino)-5-fluorophenyl]prop-2-enoate
CID 129120743
methyl (E)-3-(4-ethoxy-3,5-dihydroxyphenyl)prop-2-enoate
CID 101449926
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate (CID 11823692) is methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate is COC(=O)/C=C/c1cc(/C=C/C(=O)OC)cc(/C=C/C(=O)OC)c1.
What is the InChIKey of methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate?
The InChIKey is SWZNPHWOFHOCRI-OTWDQPKHSA-N. The full InChI is InChI=1S/C18H18O6/c1-22-16(19)7-4-13-10-14(5-8-17(20)23-2)12-15(11-13)6-9-18(21)24-3/h4-12H,1-3H3/b7-4+,8-5+,9-6+.
What are the key properties of methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate?
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate has a molecular weight of 330.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate is sourced from PubChem (CID 11823692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).