(E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid

C16H15NO3 — CID 19926608

IUPAC(E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid
SMILESCOc1ccc(-c2ccc(/C=C/CC(=O)O)cc2)cn1
InChIInChI=1S/C16H15NO3/c1-20-15-10-9-14(11-17-15)13-7-5-12(6-8-13)3-2-4-16(18)19/h2-3,5-11H,4H2,1H3,(H,18,19)/b3-2+
InChIKeyGWOCLHSECSEIKF-NSCUHMNNSA-N
MW269.30 g/mol
LogP3.25
Rot. Bonds5

About (E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid

(E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid (PubChem CID 19926608) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid.

Molecular Properties

Compound Name(E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid
PubChem CID19926608
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid
SMILESCOc1ccc(-c2ccc(/C=C/CC(=O)O)cc2)cn1
InChIInChI=1S/C16H15NO3/c1-20-15-10-9-14(11-17-15)13-7-5-12(6-8-13)3-2-4-16(18)19/h2-3,5-11H,4H2,1H3,(H,18,19)/b3-2+
InChIKeyGWOCLHSECSEIKF-NSCUHMNNSA-N
XLogP3.25
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-4-(4-methylphenyl)but-3-enoic acid
CID 94034249
4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid
CID 170483660
4-(6-methoxypyridazin-3-yl)but-3-enoic acid
CID 170483252
(E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-one
CID 90890451
4-(6-ethyl-3-pyridinyl)but-3-enoic acid
CID 90846718
(Z)-3-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 55267756
N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide
CID 170488425
6-methoxypyridine-3-carbaldehyde
CID 3364576
4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid
CID 170483537
2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid
CID 68886862
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970
(E)-4-[4-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]phenyl]but-3-enoic acid
CID 167774356

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid?
The IUPAC name of (E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid (CID 19926608) is (E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid.
What is the SMILES notation for (E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid?
The canonical SMILES for (E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid is COc1ccc(-c2ccc(/C=C/CC(=O)O)cc2)cn1.
What is the InChIKey of (E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid?
The InChIKey is GWOCLHSECSEIKF-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H15NO3/c1-20-15-10-9-14(11-17-15)13-7-5-12(6-8-13)3-2-4-16(18)19/h2-3,5-11H,4H2,1H3,(H,18,19)/b3-2+.
What are the key properties of (E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid?
(E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid has a molecular weight of 269.30 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid is sourced from PubChem (CID 19926608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).