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

C11H12O2 — CID 5370650

IUPAC(E)-5-phenylpent-4-enoic acid
SMILESO=C(O)CC/C=C/c1ccccc1
InChIInChI=1S/C11H12O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,12,13)/b8-4+
InChIKeyISCHCBAXHSLKOZ-XBXARRHUSA-N
MW176.21 g/mol
LogP2.56
Rot. Bonds4

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

(E)-5-phenylpent-4-enoic acid (PubChem CID 5370650) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (E)-5-phenylpent-4-enoic acid.

Molecular Properties

Compound Name(E)-5-phenylpent-4-enoic acid
PubChem CID5370650
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(E)-5-phenylpent-4-enoic acid
SMILESO=C(O)CC/C=C/c1ccccc1
InChIInChI=1S/C11H12O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,12,13)/b8-4+
InChIKeyISCHCBAXHSLKOZ-XBXARRHUSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-hydroxyphenyl)pent-4-enoic acid
CID 67881983
(E)-5-naphthalen-2-ylpent-4-enoic acid
CID 10263103
5-(3-chlorophenyl)pent-4-enoic acid
CID 72993428
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465
(E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one
CID 89392767
7-phenylhept-6-en-2-one
CID 582607
5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid
CID 171372447
dimethylamino (E)-5-phenylpent-4-enoate
CID 174423096
(Z)-5-(2-methylphenyl)pent-4-enoic acid
CID 124649897
butanoic acid;3-phenylprop-2-en-1-ol
CID 175086989
5-(3,4-dihydroxyphenyl)pent-4-enoic acid
CID 90882623
(E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one
CID 11346279

Frequently Asked Questions

What is the IUPAC name of (E)-5-phenylpent-4-enoic acid?
The IUPAC name of (E)-5-phenylpent-4-enoic acid (CID 5370650) is (E)-5-phenylpent-4-enoic acid.
What is the SMILES notation for (E)-5-phenylpent-4-enoic acid?
The canonical SMILES for (E)-5-phenylpent-4-enoic acid is O=C(O)CC/C=C/c1ccccc1.
What is the InChIKey of (E)-5-phenylpent-4-enoic acid?
The InChIKey is ISCHCBAXHSLKOZ-XBXARRHUSA-N. The full InChI is InChI=1S/C11H12O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,12,13)/b8-4+.
What are the key properties of (E)-5-phenylpent-4-enoic acid?
(E)-5-phenylpent-4-enoic acid has a molecular weight of 176.21 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-phenylpent-4-enoic acid is sourced from PubChem (CID 5370650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).