(3,4,5-trimethoxyphenyl) prop-2-enoate

C12H14O5 — CID 100954582

IUPAC(3,4,5-trimethoxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H14O5/c1-5-11(13)17-8-6-9(14-2)12(16-4)10(7-8)15-3/h5-7H,1H2,2-4H3
InChIKeyJSMXOKPOJPQCQW-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.80
Rot. Bonds5

About (3,4,5-trimethoxyphenyl) prop-2-enoate

(3,4,5-trimethoxyphenyl) prop-2-enoate (PubChem CID 100954582) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is (3,4,5-trimethoxyphenyl) prop-2-enoate.

Molecular Properties

Compound Name(3,4,5-trimethoxyphenyl) prop-2-enoate
PubChem CID100954582
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name(3,4,5-trimethoxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H14O5/c1-5-11(13)17-8-6-9(14-2)12(16-4)10(7-8)15-3/h5-7H,1H2,2-4H3
InChIKeyJSMXOKPOJPQCQW-UHFFFAOYSA-N
XLogP1.80
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate
CID 18361938
[4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate
CID 141004975
(3,4,5-trimethoxyphenyl) 3-phenylprop-2-enoate
CID 71323634
(2,4-dimethoxy-6-methylnaphthalen-1-yl) prop-2-enoate
CID 163406495
(2-methoxyphenyl) prop-2-enoate
CID 22987486
[3,5-bis[(3,4,5-trimethoxybenzoyl)oxy]phenyl] 3,4,5-trimethoxybenzoate
CID 67989294
(2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate
CID 163406566
(3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 163406680
(6-bromo-2-hydroxy-3-methoxyphenyl) prop-2-enoate
CID 175096593
[6,8-di(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate
CID 163762483
(3,5-ditert-butylphenyl) prop-2-enoate
CID 46835728
(3,4,5-trimethoxyphenyl) 2-methylbutanoate
CID 91873545

Frequently Asked Questions

What is the IUPAC name of (3,4,5-trimethoxyphenyl) prop-2-enoate?
The IUPAC name of (3,4,5-trimethoxyphenyl) prop-2-enoate (CID 100954582) is (3,4,5-trimethoxyphenyl) prop-2-enoate.
What is the SMILES notation for (3,4,5-trimethoxyphenyl) prop-2-enoate?
The canonical SMILES for (3,4,5-trimethoxyphenyl) prop-2-enoate is C=CC(=O)Oc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (3,4,5-trimethoxyphenyl) prop-2-enoate?
The InChIKey is JSMXOKPOJPQCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-5-11(13)17-8-6-9(14-2)12(16-4)10(7-8)15-3/h5-7H,1H2,2-4H3.
What are the key properties of (3,4,5-trimethoxyphenyl) prop-2-enoate?
(3,4,5-trimethoxyphenyl) prop-2-enoate has a molecular weight of 238.24 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trimethoxyphenyl) prop-2-enoate is sourced from PubChem (CID 100954582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).