(E)-4-methyl-5-phenylpent-4-enoic acid

C12H14O2 — CID 5476564

IUPAC(E)-4-methyl-5-phenylpent-4-enoic acid
SMILESC/C(=C\c1ccccc1)CCC(=O)O
InChIInChI=1S/C12H14O2/c1-10(7-8-12(13)14)9-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,14)/b10-9+
InChIKeyVHEPVKWHVDVIIE-MDZDMXLPSA-N
MW190.24 g/mol
LogP2.95
Rot. Bonds4

About (E)-4-methyl-5-phenylpent-4-enoic acid

(E)-4-methyl-5-phenylpent-4-enoic acid (PubChem CID 5476564) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (E)-4-methyl-5-phenylpent-4-enoic acid.

Molecular Properties

Compound Name(E)-4-methyl-5-phenylpent-4-enoic acid
PubChem CID5476564
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(E)-4-methyl-5-phenylpent-4-enoic acid
SMILESC/C(=C\c1ccccc1)CCC(=O)O
InChIInChI=1S/C12H14O2/c1-10(7-8-12(13)14)9-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,14)/b10-9+
InChIKeyVHEPVKWHVDVIIE-MDZDMXLPSA-N
XLogP2.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-5-phenylpent-4-enoic acid?
The IUPAC name of (E)-4-methyl-5-phenylpent-4-enoic acid (CID 5476564) is (E)-4-methyl-5-phenylpent-4-enoic acid.
What is the SMILES notation for (E)-4-methyl-5-phenylpent-4-enoic acid?
The canonical SMILES for (E)-4-methyl-5-phenylpent-4-enoic acid is C/C(=C\c1ccccc1)CCC(=O)O.
What is the InChIKey of (E)-4-methyl-5-phenylpent-4-enoic acid?
The InChIKey is VHEPVKWHVDVIIE-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H14O2/c1-10(7-8-12(13)14)9-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,14)/b10-9+.
What are the key properties of (E)-4-methyl-5-phenylpent-4-enoic acid?
(E)-4-methyl-5-phenylpent-4-enoic acid has a molecular weight of 190.24 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-5-phenylpent-4-enoic acid is sourced from PubChem (CID 5476564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).