[2-[3-(3,4-dimethoxyphenyl)prop-1-en-2-yl]phenyl] acetate

C19H20O4 — CID 46231232

IUPAC[2-[3-(3,4-dimethoxyphenyl)prop-1-en-2-yl]phenyl] acetate
SMILESC=C(Cc1ccc(OC)c(OC)c1)c1ccccc1OC(C)=O
InChIInChI=1S/C19H20O4/c1-13(16-7-5-6-8-17(16)23-14(2)20)11-15-9-10-18(21-3)19(12-15)22-4/h5-10,12H,1,11H2,2-4H3
InChIKeyJKLAKYGJDMCBCK-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.88
Rot. Bonds6

About [2-[3-(3,4-dimethoxyphenyl)prop-1-en-2-yl]phenyl] acetate

[2-[3-(3,4-dimethoxyphenyl)prop-1-en-2-yl]phenyl] acetate (PubChem CID 46231232) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is [2-[3-(3,4-dimethoxyphenyl)prop-1-en-2-yl]phenyl] acetate.

Molecular Properties

Compound Name[2-[3-(3,4-dimethoxyphenyl)prop-1-en-2-yl]phenyl] acetate
PubChem CID46231232
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name[2-[3-(3,4-dimethoxyphenyl)prop-1-en-2-yl]phenyl] acetate
SMILESC=C(Cc1ccc(OC)c(OC)c1)c1ccccc1OC(C)=O
InChIInChI=1S/C19H20O4/c1-13(16-7-5-6-8-17(16)23-14(2)20)11-15-9-10-18(21-3)19(12-15)22-4/h5-10,12H,1,11H2,2-4H3
InChIKeyJKLAKYGJDMCBCK-UHFFFAOYSA-N
XLogP3.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(3,4-dimethoxyphenyl)prop-1-en-2-yl]phenyl] acetate?
The IUPAC name of [2-[3-(3,4-dimethoxyphenyl)prop-1-en-2-yl]phenyl] acetate (CID 46231232) is [2-[3-(3,4-dimethoxyphenyl)prop-1-en-2-yl]phenyl] acetate.
What is the SMILES notation for [2-[3-(3,4-dimethoxyphenyl)prop-1-en-2-yl]phenyl] acetate?
The canonical SMILES for [2-[3-(3,4-dimethoxyphenyl)prop-1-en-2-yl]phenyl] acetate is C=C(Cc1ccc(OC)c(OC)c1)c1ccccc1OC(C)=O.
What is the InChIKey of [2-[3-(3,4-dimethoxyphenyl)prop-1-en-2-yl]phenyl] acetate?
The InChIKey is JKLAKYGJDMCBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-13(16-7-5-6-8-17(16)23-14(2)20)11-15-9-10-18(21-3)19(12-15)22-4/h5-10,12H,1,11H2,2-4H3.
What are the key properties of [2-[3-(3,4-dimethoxyphenyl)prop-1-en-2-yl]phenyl] acetate?
[2-[3-(3,4-dimethoxyphenyl)prop-1-en-2-yl]phenyl] acetate has a molecular weight of 312.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3,4-dimethoxyphenyl)prop-1-en-2-yl]phenyl] acetate is sourced from PubChem (CID 46231232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).