5-(4-methoxyphenyl)pent-4-enoic acid

C12H14O3 — CID 54081465

IUPAC5-(4-methoxyphenyl)pent-4-enoic acid
SMILESCOc1ccc(C=CCCC(=O)O)cc1
InChIInChI=1S/C12H14O3/c1-15-11-8-6-10(7-9-11)4-2-3-5-12(13)14/h2,4,6-9H,3,5H2,1H3,(H,13,14)
InChIKeyMNKMFGIQBUBYHW-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.57
Rot. Bonds5

About 5-(4-methoxyphenyl)pent-4-enoic acid

5-(4-methoxyphenyl)pent-4-enoic acid (PubChem CID 54081465) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)pent-4-enoic acid.

Molecular Properties

Compound Name5-(4-methoxyphenyl)pent-4-enoic acid
PubChem CID54081465
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name5-(4-methoxyphenyl)pent-4-enoic acid
SMILESCOc1ccc(C=CCCC(=O)O)cc1
InChIInChI=1S/C12H14O3/c1-15-11-8-6-10(7-9-11)4-2-3-5-12(13)14/h2,4,6-9H,3,5H2,1H3,(H,13,14)
InChIKeyMNKMFGIQBUBYHW-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze 5-(4-methoxyphenyl)pent-4-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-ethoxyphenyl)pent-4-enoic acid
CID 54525695
5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid
CID 10380391
5-(4-hydroxyphenyl)pent-4-enoic acid
CID 67881983
(E)-5-phenylpent-4-enoic acid
CID 5370650
5-(3-methoxy-4-methylphenyl)pent-4-enoic acid
CID 54082412
5-(4-chloro-3-methoxyphenyl)pent-4-enoic acid
CID 171372515
(E)-5-naphthalen-2-ylpent-4-enoic acid
CID 10263103
(E)-5-(4-methoxyphenyl)-1-phenylpent-4-en-1-ol
CID 22559360
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 2097972
N-[(Z)-5-(4-methoxyphenyl)pent-4-enyl]acetamide
CID 10331554
(E)-1-diazo-7-(4-methoxyphenyl)hept-6-en-2-one
CID 135767047
1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene
CID 54162111

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)pent-4-enoic acid?
The IUPAC name of 5-(4-methoxyphenyl)pent-4-enoic acid (CID 54081465) is 5-(4-methoxyphenyl)pent-4-enoic acid.
What is the SMILES notation for 5-(4-methoxyphenyl)pent-4-enoic acid?
The canonical SMILES for 5-(4-methoxyphenyl)pent-4-enoic acid is COc1ccc(C=CCCC(=O)O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)pent-4-enoic acid?
The InChIKey is MNKMFGIQBUBYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-11-8-6-10(7-9-11)4-2-3-5-12(13)14/h2,4,6-9H,3,5H2,1H3,(H,13,14).
What are the key properties of 5-(4-methoxyphenyl)pent-4-enoic acid?
5-(4-methoxyphenyl)pent-4-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)pent-4-enoic acid is sourced from PubChem (CID 54081465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).