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

C14H18O3 — CID 142815770

IUPAC(3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid
SMILESC=C[C@@H](CC)C(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C14H18O3/c1-4-10(5-2)13(14(15)16)11-6-8-12(17-3)9-7-11/h4,6-10,13H,1,5H2,2-3H3,(H,15,16)/t10-,13?/m0/s1
InChIKeyPHVMJPBMKXPRDM-NKUHCKNESA-N
MW234.29 g/mol
LogP3.08
Rot. Bonds6

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

(3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid (PubChem CID 142815770) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid.

Molecular Properties

Compound Name(3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid
PubChem CID142815770
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid
SMILESC=C[C@@H](CC)C(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C14H18O3/c1-4-10(5-2)13(14(15)16)11-6-8-12(17-3)9-7-11/h4,6-10,13H,1,5H2,2-3H3,(H,15,16)/t10-,13?/m0/s1
InChIKeyPHVMJPBMKXPRDM-NKUHCKNESA-N
XLogP3.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.08
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

(2S,3R)-3-cyclopropyl-2-(4-methoxyphenyl)pent-4-enoic acid
CID 101184774
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 55233202
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403
4,4-bis(4-methoxyphenyl)but-1-en-1-ol
CID 174788315
(E)-2-ethyl-4-(4-methoxyphenyl)hex-2-enal
CID 15864632
dimethyl 2-[(1S)-1-(4-methoxyphenyl)prop-2-enyl]-2-methylpropanedioate
CID 11808469
(2R,3R)-N-benzyl-3-cyclohexyloxy-2-(4-methoxyphenyl)pent-4-enamide
CID 164579276
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid?
The IUPAC name of (3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid (CID 142815770) is (3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid.
What is the SMILES notation for (3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid?
The canonical SMILES for (3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid is C=C[C@@H](CC)C(C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of (3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid?
The InChIKey is PHVMJPBMKXPRDM-NKUHCKNESA-N. The full InChI is InChI=1S/C14H18O3/c1-4-10(5-2)13(14(15)16)11-6-8-12(17-3)9-7-11/h4,6-10,13H,1,5H2,2-3H3,(H,15,16)/t10-,13?/m0/s1.
What are the key properties of (3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid?
(3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid has a molecular weight of 234.29 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid is sourced from PubChem (CID 142815770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).