(E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol

C17H19NO4 — CID 10447581

IUPAC(E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol
SMILESCOc1cc(C(O)/C=C/c2ccncc2)cc(OC)c1OC
InChIInChI=1S/C17H19NO4/c1-20-15-10-13(11-16(21-2)17(15)22-3)14(19)5-4-12-6-8-18-9-7-12/h4-11,14,19H,1-3H3/b5-4+
InChIKeySJGLLFHTIRAEEY-SNAWJCMRSA-N
MW301.34 g/mol
LogP2.85
Rot. Bonds6

About (E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol

(E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol (PubChem CID 10447581) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is (E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol
PubChem CID10447581
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name(E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol
SMILESCOc1cc(C(O)/C=C/c2ccncc2)cc(OC)c1OC
InChIInChI=1S/C17H19NO4/c1-20-15-10-13(11-16(21-2)17(15)22-3)14(19)5-4-12-6-8-18-9-7-12/h4-11,14,19H,1-3H3/b5-4+
InChIKeySJGLLFHTIRAEEY-SNAWJCMRSA-N
XLogP2.85
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol (CID 10447581) is (E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol is COc1cc(C(O)/C=C/c2ccncc2)cc(OC)c1OC.
What is the InChIKey of (E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol?
The InChIKey is SJGLLFHTIRAEEY-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H19NO4/c1-20-15-10-13(11-16(21-2)17(15)22-3)14(19)5-4-12-6-8-18-9-7-12/h4-11,14,19H,1-3H3/b5-4+.
What are the key properties of (E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol?
(E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol has a molecular weight of 301.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-pyridin-4-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 10447581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).