methyl 5-(3-naphthalen-2-yl-3-oxoprop-1-enyl)furan-2-carboxylate

C19H14O4 — CID 76879033

IUPACmethyl 5-(3-naphthalen-2-yl-3-oxoprop-1-enyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C=CC(=O)c2ccc3ccccc3c2)o1
InChIInChI=1S/C19H14O4/c1-22-19(21)18-11-9-16(23-18)8-10-17(20)15-7-6-13-4-2-3-5-14(13)12-15/h2-12H,1H3
InChIKeyOROMYMVHTTZKGL-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.12
Rot. Bonds4

About methyl 5-(3-naphthalen-2-yl-3-oxoprop-1-enyl)furan-2-carboxylate

methyl 5-(3-naphthalen-2-yl-3-oxoprop-1-enyl)furan-2-carboxylate (PubChem CID 76879033) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 5-(3-naphthalen-2-yl-3-oxoprop-1-enyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-naphthalen-2-yl-3-oxoprop-1-enyl)furan-2-carboxylate
PubChem CID76879033
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Namemethyl 5-(3-naphthalen-2-yl-3-oxoprop-1-enyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C=CC(=O)c2ccc3ccccc3c2)o1
InChIInChI=1S/C19H14O4/c1-22-19(21)18-11-9-16(23-18)8-10-17(20)15-7-6-13-4-2-3-5-14(13)12-15/h2-12H,1H3
InChIKeyOROMYMVHTTZKGL-UHFFFAOYSA-N
XLogP4.12
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]furan-2-carboxylate
CID 51103380
methyl 5-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]furan-2-carboxylate
CID 51103383
methyl 5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]furan-2-carboxylate
CID 47083650
(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 19561296
(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
ethane;methyl naphthalene-2-carboxylate
CID 143895262
3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one
CID 4022305
(E)-3-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one
CID 19561186
1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
(E)-1-naphthalen-2-ylpent-2-ene-1,4-dione
CID 102019956
(E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one
CID 19561222
(E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one
CID 12782042

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-naphthalen-2-yl-3-oxoprop-1-enyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(3-naphthalen-2-yl-3-oxoprop-1-enyl)furan-2-carboxylate (CID 76879033) is methyl 5-(3-naphthalen-2-yl-3-oxoprop-1-enyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(3-naphthalen-2-yl-3-oxoprop-1-enyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(3-naphthalen-2-yl-3-oxoprop-1-enyl)furan-2-carboxylate is COC(=O)c1ccc(C=CC(=O)c2ccc3ccccc3c2)o1.
What is the InChIKey of methyl 5-(3-naphthalen-2-yl-3-oxoprop-1-enyl)furan-2-carboxylate?
The InChIKey is OROMYMVHTTZKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-22-19(21)18-11-9-16(23-18)8-10-17(20)15-7-6-13-4-2-3-5-14(13)12-15/h2-12H,1H3.
What are the key properties of methyl 5-(3-naphthalen-2-yl-3-oxoprop-1-enyl)furan-2-carboxylate?
methyl 5-(3-naphthalen-2-yl-3-oxoprop-1-enyl)furan-2-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-naphthalen-2-yl-3-oxoprop-1-enyl)furan-2-carboxylate is sourced from PubChem (CID 76879033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).