(4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate

C13H16O4 — CID 18361938

IUPAC(4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(OC)c(CC)c(OC)c1
InChIInChI=1S/C13H16O4/c1-5-10-11(15-3)7-9(8-12(10)16-4)17-13(14)6-2/h6-8H,2,5H2,1,3-4H3
InChIKeyKTVVPQZCUUNHKZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.36
Rot. Bonds5

About (4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate

(4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate (PubChem CID 18361938) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is (4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate.

Molecular Properties

Compound Name(4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate
PubChem CID18361938
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name(4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(OC)c(CC)c(OC)c1
InChIInChI=1S/C13H16O4/c1-5-10-11(15-3)7-9(8-12(10)16-4)17-13(14)6-2/h6-8H,2,5H2,1,3-4H3
InChIKeyKTVVPQZCUUNHKZ-UHFFFAOYSA-N
XLogP2.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(3,4,5-trimethoxyphenyl) prop-2-enoate
CID 100954582
(2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate
CID 163406566
[4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate
CID 141004975
(2-methoxyphenyl) prop-2-enoate
CID 22987486
2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid
CID 117321866
[3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 70544531
(2,5-diethoxyphenyl) prop-2-enoate
CID 174805229
(3-ethyl-4-hydroxyphenyl) prop-2-enoate
CID 174614583
(3,5-ditert-butylphenyl) prop-2-enoate
CID 46835728
[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate
CID 126551737
(4-methoxy-3-nitrophenyl) prop-2-enoate
CID 139661081
[4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate
CID 135163056

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate?
The IUPAC name of (4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate (CID 18361938) is (4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate.
What is the SMILES notation for (4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate?
The canonical SMILES for (4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate is C=CC(=O)Oc1cc(OC)c(CC)c(OC)c1.
What is the InChIKey of (4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate?
The InChIKey is KTVVPQZCUUNHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-5-10-11(15-3)7-9(8-12(10)16-4)17-13(14)6-2/h6-8H,2,5H2,1,3-4H3.
What are the key properties of (4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate?
(4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate has a molecular weight of 236.27 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate is sourced from PubChem (CID 18361938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).