(E)-5-(4-methoxyphenyl)hex-4-enoic acid

C13H16O3 — CID 82079765

IUPAC(E)-5-(4-methoxyphenyl)hex-4-enoic acid
SMILESCOc1ccc(/C(C)=C/CCC(=O)O)cc1
InChIInChI=1S/C13H16O3/c1-10(4-3-5-13(14)15)11-6-8-12(16-2)9-7-11/h4,6-9H,3,5H2,1-2H3,(H,14,15)/b10-4+
InChIKeyUOTBQBCEBVNRHY-ONNFQVAWSA-N
MW220.27 g/mol
LogP2.96
Rot. Bonds5

About (E)-5-(4-methoxyphenyl)hex-4-enoic acid

(E)-5-(4-methoxyphenyl)hex-4-enoic acid (PubChem CID 82079765) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (E)-5-(4-methoxyphenyl)hex-4-enoic acid.

Molecular Properties

Compound Name(E)-5-(4-methoxyphenyl)hex-4-enoic acid
PubChem CID82079765
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(E)-5-(4-methoxyphenyl)hex-4-enoic acid
SMILESCOc1ccc(/C(C)=C/CCC(=O)O)cc1
InChIInChI=1S/C13H16O3/c1-10(4-3-5-13(14)15)11-6-8-12(16-2)9-7-11/h4,6-9H,3,5H2,1-2H3,(H,14,15)/b10-4+
InChIKeyUOTBQBCEBVNRHY-ONNFQVAWSA-N
XLogP2.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)pent-3-enoic acid
CID 57142531
4-(4-methoxyphenyl)pent-3-en-1-amine
CID 76997387
1-(4-methoxyphenyl)-5-methylhex-4-en-1-one
CID 11160278
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465
methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169370
(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid
CID 174832774
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
(E)-6-(3-chloro-4-methoxyphenyl)hept-5-enoic acid
CID 95472505
methyl (E)-3-(4-methoxyphenyl)but-2-enoate
CID 11074539
(E)-6-(4-methylphenyl)hept-5-en-2-one
CID 15742291
(2E,4E)-5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 14347285
5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 54069539

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-methoxyphenyl)hex-4-enoic acid?
The IUPAC name of (E)-5-(4-methoxyphenyl)hex-4-enoic acid (CID 82079765) is (E)-5-(4-methoxyphenyl)hex-4-enoic acid.
What is the SMILES notation for (E)-5-(4-methoxyphenyl)hex-4-enoic acid?
The canonical SMILES for (E)-5-(4-methoxyphenyl)hex-4-enoic acid is COc1ccc(/C(C)=C/CCC(=O)O)cc1.
What is the InChIKey of (E)-5-(4-methoxyphenyl)hex-4-enoic acid?
The InChIKey is UOTBQBCEBVNRHY-ONNFQVAWSA-N. The full InChI is InChI=1S/C13H16O3/c1-10(4-3-5-13(14)15)11-6-8-12(16-2)9-7-11/h4,6-9H,3,5H2,1-2H3,(H,14,15)/b10-4+.
What are the key properties of (E)-5-(4-methoxyphenyl)hex-4-enoic acid?
(E)-5-(4-methoxyphenyl)hex-4-enoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-methoxyphenyl)hex-4-enoic acid is sourced from PubChem (CID 82079765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).