(E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid

C17H15Cl2NO5 — CID 68548203

IUPAC(E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid
SMILESCOCCOc1ccc(/C=C/C(=O)O)c(Oc2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C17H15Cl2NO5/c1-23-6-7-24-13-4-2-11(3-5-16(21)22)15(9-13)25-17-14(19)8-12(18)10-20-17/h2-5,8-10H,6-7H2,1H3,(H,21,22)/b5-3+
InChIKeyLGRXXWPUWRXFGQ-HWKANZROSA-N
MW384.22 g/mol
LogP4.30
Rot. Bonds8

About (E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid

(E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid (PubChem CID 68548203) has the molecular formula C17H15Cl2NO5 and a molecular weight of 384.22 g/mol. Its IUPAC name is (E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid
PubChem CID68548203
Molecular FormulaC17H15Cl2NO5
Molecular Weight384.22 g/mol
Exact Mass383.03
IUPAC Name(E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid
SMILESCOCCOc1ccc(/C=C/C(=O)O)c(Oc2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C17H15Cl2NO5/c1-23-6-7-24-13-4-2-11(3-5-16(21)22)15(9-13)25-17-14(19)8-12(18)10-20-17/h2-5,8-10H,6-7H2,1H3,(H,21,22)/b5-3+
InChIKeyLGRXXWPUWRXFGQ-HWKANZROSA-N
XLogP4.30
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoate
CID 91436690
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid
CID 68545576
ethyl 2-[[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]methylidene]butanoate
CID 91108866
(E)-3-[4-(2-methoxyethoxy)-2-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoic acid
CID 68550968
(Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid
CID 89026724
(E)-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(3-cyanopropoxy)phenyl]prop-2-enoic acid
CID 68551388
3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid
CID 68550256
3-[2-[2-(3,4-dimethylphenoxy)ethoxy]-4-methoxyphenyl]prop-2-enoic acid
CID 22683689
(E)-3-[2-[(3-chloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]-N-pentylsulfonylprop-2-enamide
CID 70685690
3-[4-(2-acetyloxy-3-propan-2-yloxypropoxy)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enoic acid
CID 68548202
3-[4-(2-methoxyethoxy)-2-[2-nitro-5-(trifluoromethyl)phenoxy]phenyl]prop-2-enoic acid
CID 68549748
ethyl (E)-3-[2-[(2,4-dichlorophenyl)methoxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoate
CID 86617651

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid (CID 68548203) is (E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid is COCCOc1ccc(/C=C/C(=O)O)c(Oc2ncc(Cl)cc2Cl)c1.
What is the InChIKey of (E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid?
The InChIKey is LGRXXWPUWRXFGQ-HWKANZROSA-N. The full InChI is InChI=1S/C17H15Cl2NO5/c1-23-6-7-24-13-4-2-11(3-5-16(21)22)15(9-13)25-17-14(19)8-12(18)10-20-17/h2-5,8-10H,6-7H2,1H3,(H,21,22)/b5-3+.
What are the key properties of (E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid?
(E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid has a molecular weight of 384.22 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 68548203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).