methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate

C14H11ClO3 — CID 69037771

IUPACmethyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C14H11ClO3/c1-17-14(16)8-6-12-5-7-13(18-12)10-3-2-4-11(15)9-10/h2-9H,1H3
InChIKeyOSMUYMOZFWEMFG-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.79
Rot. Bonds3

About methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate

methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate (PubChem CID 69037771) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate
PubChem CID69037771
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Namemethyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C14H11ClO3/c1-17-14(16)8-6-12-5-7-13(18-12)10-3-2-4-11(15)9-10/h2-9H,1H3
InChIKeyOSMUYMOZFWEMFG-UHFFFAOYSA-N
XLogP3.79
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828764
(E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 5344040
(E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828761
(E)-3-[5-(3-methoxycarbonylphenyl)furan-2-yl]prop-2-enoic acid
CID 17274123
N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide
CID 4736275
methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate
CID 71445900
methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate
CID 75608706
(E)-1-(5-benzylthiophen-2-yl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-en-1-one
CID 19561383
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 3461046
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-hydroxyprop-2-enamide
CID 91678289
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2,4-dichlorophenyl)prop-2-enamide
CID 19631584
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 28665530

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate?
The IUPAC name of methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate (CID 69037771) is methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate.
What is the SMILES notation for methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate?
The canonical SMILES for methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate is COC(=O)C=Cc1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate?
The InChIKey is OSMUYMOZFWEMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-17-14(16)8-6-12-5-7-13(18-12)10-3-2-4-11(15)9-10/h2-9H,1H3.
What are the key properties of methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate?
methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate has a molecular weight of 262.69 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate is sourced from PubChem (CID 69037771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).