(2R)-2-(3-methoxyphenyl)pent-4-enoic acid

C12H14O3 — CID 124706268

IUPAC(2R)-2-(3-methoxyphenyl)pent-4-enoic acid
SMILESC=CC[C@@H](C(=O)O)c1cccc(OC)c1
InChIInChI=1S/C12H14O3/c1-3-5-11(12(13)14)9-6-4-7-10(8-9)15-2/h3-4,6-8,11H,1,5H2,2H3,(H,13,14)/t11-/m1/s1
InChIKeyCSTSASZDWBLXJF-LLVKDONJSA-N
MW206.24 g/mol
LogP2.44
Rot. Bonds5

About (2R)-2-(3-methoxyphenyl)pent-4-enoic acid

(2R)-2-(3-methoxyphenyl)pent-4-enoic acid (PubChem CID 124706268) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R)-2-(3-methoxyphenyl)pent-4-enoic acid.

Molecular Properties

Compound Name(2R)-2-(3-methoxyphenyl)pent-4-enoic acid
PubChem CID124706268
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(2R)-2-(3-methoxyphenyl)pent-4-enoic acid
SMILESC=CC[C@@H](C(=O)O)c1cccc(OC)c1
InChIInChI=1S/C12H14O3/c1-3-5-11(12(13)14)9-6-4-7-10(8-9)15-2/h3-4,6-8,11H,1,5H2,2H3,(H,13,14)/t11-/m1/s1
InChIKeyCSTSASZDWBLXJF-LLVKDONJSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
4-amino-2-(3-methoxyphenyl)-4-oxobutanoic acid
CID 141007256
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267
5-amino-2-(3-methoxyphenyl)pentanoic acid
CID 112511837
2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 82141396
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
(2R,3R)-3-(3-methoxyphenyl)-2-methylpent-4-enoic acid
CID 118204888
(2S)-4-[di(propan-2-yl)amino]-2-(3-methoxyphenyl)butanoic acid
CID 27282104
(2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid
CID 97262837

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxyphenyl)pent-4-enoic acid?
The IUPAC name of (2R)-2-(3-methoxyphenyl)pent-4-enoic acid (CID 124706268) is (2R)-2-(3-methoxyphenyl)pent-4-enoic acid.
What is the SMILES notation for (2R)-2-(3-methoxyphenyl)pent-4-enoic acid?
The canonical SMILES for (2R)-2-(3-methoxyphenyl)pent-4-enoic acid is C=CC[C@@H](C(=O)O)c1cccc(OC)c1.
What is the InChIKey of (2R)-2-(3-methoxyphenyl)pent-4-enoic acid?
The InChIKey is CSTSASZDWBLXJF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-5-11(12(13)14)9-6-4-7-10(8-9)15-2/h3-4,6-8,11H,1,5H2,2H3,(H,13,14)/t11-/m1/s1.
What are the key properties of (2R)-2-(3-methoxyphenyl)pent-4-enoic acid?
(2R)-2-(3-methoxyphenyl)pent-4-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxyphenyl)pent-4-enoic acid is sourced from PubChem (CID 124706268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).