5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid

C12H11ClO3 — CID 71336819

IUPAC5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid
SMILESCOC(C=Cc1ccc(Cl)cc1)=CC(=O)O
InChIInChI=1S/C12H11ClO3/c1-16-11(8-12(14)15)7-4-9-2-5-10(13)6-3-9/h2-8H,1H3,(H,14,15)
InChIKeySYLCICBSBUKHRX-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.97
Rot. Bonds4

About 5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid

5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid (PubChem CID 71336819) has the molecular formula C12H11ClO3 and a molecular weight of 238.67 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid
PubChem CID71336819
Molecular FormulaC12H11ClO3
Molecular Weight238.67 g/mol
Exact Mass238.04
IUPAC Name5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid
SMILESCOC(C=Cc1ccc(Cl)cc1)=CC(=O)O
InChIInChI=1S/C12H11ClO3/c1-16-11(8-12(14)15)7-4-9-2-5-10(13)6-3-9/h2-8H,1H3,(H,14,15)
InChIKeySYLCICBSBUKHRX-UHFFFAOYSA-N
XLogP2.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid
CID 71336334
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver
CID 88781807
methyl (E)-4-(4-chlorophenyl)-2-oxobut-3-enoate
CID 11736256
(E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide
CID 110495511
3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-2-methoxypropanoic acid
CID 106108058
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid
CID 19176841
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid
CID 81080270
(E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide
CID 47232697
(E)-3-(4-chlorophenyl)prop-2-enoyl bromide
CID 19079844

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid?
The IUPAC name of 5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid (CID 71336819) is 5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid?
The canonical SMILES for 5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid is COC(C=Cc1ccc(Cl)cc1)=CC(=O)O.
What is the InChIKey of 5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid?
The InChIKey is SYLCICBSBUKHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO3/c1-16-11(8-12(14)15)7-4-9-2-5-10(13)6-3-9/h2-8H,1H3,(H,14,15).
What are the key properties of 5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid?
5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid has a molecular weight of 238.67 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid is sourced from PubChem (CID 71336819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).