4-(4-methoxyphenyl)pent-3-enoic acid

C12H14O3 — CID 57142531

IUPAC4-(4-methoxyphenyl)pent-3-enoic acid
SMILESCOc1ccc(C(C)=CCC(=O)O)cc1
InChIInChI=1S/C12H14O3/c1-9(3-8-12(13)14)10-4-6-11(15-2)7-5-10/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeySGIBYOLEAWNLFS-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.57
Rot. Bonds4

About 4-(4-methoxyphenyl)pent-3-enoic acid

4-(4-methoxyphenyl)pent-3-enoic acid (PubChem CID 57142531) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)pent-3-enoic acid.

Molecular Properties

Compound Name4-(4-methoxyphenyl)pent-3-enoic acid
PubChem CID57142531
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name4-(4-methoxyphenyl)pent-3-enoic acid
SMILESCOc1ccc(C(C)=CCC(=O)O)cc1
InChIInChI=1S/C12H14O3/c1-9(3-8-12(13)14)10-4-6-11(15-2)7-5-10/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeySGIBYOLEAWNLFS-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-5-(4-methoxyphenyl)hex-4-enoic acid
CID 82079765
(E)-4-(4-pentoxyphenyl)pent-3-enoic acid
CID 83957997
(E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid
CID 57379628
4-(4-methoxyphenyl)pent-3-en-1-amine
CID 76997387
methyl (E)-3-(4-methoxyphenyl)but-2-enoate
CID 11074539
(2E,4E)-5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 14347285
5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 54069539
(Z)-3-(4-methoxyphenyl)pent-2-enedioic acid
CID 70572343
2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoic acid
CID 175395056
4-methoxybenzoic acid;hydrobromide
CID 172731707
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
4-methoxybenzoic acid;silver
CID 140722019

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)pent-3-enoic acid?
The IUPAC name of 4-(4-methoxyphenyl)pent-3-enoic acid (CID 57142531) is 4-(4-methoxyphenyl)pent-3-enoic acid.
What is the SMILES notation for 4-(4-methoxyphenyl)pent-3-enoic acid?
The canonical SMILES for 4-(4-methoxyphenyl)pent-3-enoic acid is COc1ccc(C(C)=CCC(=O)O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)pent-3-enoic acid?
The InChIKey is SGIBYOLEAWNLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(3-8-12(13)14)10-4-6-11(15-2)7-5-10/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of 4-(4-methoxyphenyl)pent-3-enoic acid?
4-(4-methoxyphenyl)pent-3-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)pent-3-enoic acid is sourced from PubChem (CID 57142531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).