methyl (E)-3-(4-formylphenyl)prop-2-enoate

C11H10O3 — CID 11008713

IUPACmethyl (E)-3-(4-formylphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(C=O)cc1
InChIInChI=1S/C11H10O3/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-8H,1H3/b7-6+
InChIKeyKVXMLLMZXPRPNG-VOTSOKGWSA-N
MW190.20 g/mol
LogP1.69
Rot. Bonds3

About methyl (E)-3-(4-formylphenyl)prop-2-enoate

methyl (E)-3-(4-formylphenyl)prop-2-enoate (PubChem CID 11008713) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl (E)-3-(4-formylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(4-formylphenyl)prop-2-enoate
PubChem CID11008713
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Namemethyl (E)-3-(4-formylphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(C=O)cc1
InChIInChI=1S/C11H10O3/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-8H,1H3/b7-6+
InChIKeyKVXMLLMZXPRPNG-VOTSOKGWSA-N
XLogP1.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773
methyl (E)-3-[4-[[4-[(E)-3-methoxy-3-oxoprop-1-enyl]anilino]methylamino]phenyl]prop-2-enoate
CID 102327819
methyl (E)-3-[4-(2-oxoethyl)phenyl]prop-2-enoate
CID 10465506
tert-butyl 3-(4-formylphenyl)prop-2-enoate
CID 54147604
(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 71945324
methyl (E)-3-[4-(hydroxyiminomethyl)phenyl]prop-2-enoate
CID 173183558
methyl (E)-3-[4-[(Z)-hydroxyiminomethyl]phenyl]prop-2-enoate
CID 87885126
methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate
CID 101358930
methyl 3-(4-methylsulfanylphenyl)prop-2-enoate
CID 6624383
methyl (E)-3-[4-(2-bromoethyl)phenyl]prop-2-enoate
CID 174680836

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(4-formylphenyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(4-formylphenyl)prop-2-enoate (CID 11008713) is methyl (E)-3-(4-formylphenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(4-formylphenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(4-formylphenyl)prop-2-enoate is COC(=O)/C=C/c1ccc(C=O)cc1.
What is the InChIKey of methyl (E)-3-(4-formylphenyl)prop-2-enoate?
The InChIKey is KVXMLLMZXPRPNG-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H10O3/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-8H,1H3/b7-6+.
What are the key properties of methyl (E)-3-(4-formylphenyl)prop-2-enoate?
methyl (E)-3-(4-formylphenyl)prop-2-enoate has a molecular weight of 190.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(4-formylphenyl)prop-2-enoate is sourced from PubChem (CID 11008713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).