methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate

C18H14O3 — CID 71445900

IUPACmethyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(-c2cccc3ccccc23)o1
InChIInChI=1S/C18H14O3/c1-20-18(19)12-10-14-9-11-17(21-14)16-8-4-6-13-5-2-3-7-15(13)16/h2-12H,1H3
InChIKeyUYIBIWZWXBBHBB-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.29
Rot. Bonds3

About methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate

methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate (PubChem CID 71445900) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate
PubChem CID71445900
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Namemethyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(-c2cccc3ccccc23)o1
InChIInChI=1S/C18H14O3/c1-20-18(19)12-10-14-9-11-17(21-14)16-8-4-6-13-5-2-3-7-15(13)16/h2-12H,1H3
InChIKeyUYIBIWZWXBBHBB-UHFFFAOYSA-N
XLogP4.29
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.29
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

(2E,4E)-3-methyl-5-(5-naphthalen-1-ylfuran-2-yl)penta-2,4-dienoic acid
CID 135232225
[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea
CID 30105868
methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate
CID 69037771
methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate
CID 75608706
5-naphthalen-1-ylfuran-2-carboxylic acid
CID 43332928
methyl 3-(1-benzofuran-2-yl)prop-2-enoate
CID 1479261
methyl 3-(5-ethylfuran-2-yl)prop-2-enoate
CID 54231207
methyl 3-(5-bromofuran-2-yl)prop-2-enoate
CID 66591461
naphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate
CID 4539198
methyl (E)-3-[1-(2-formylphenyl)naphthalen-2-yl]prop-2-enoate
CID 164678380
methyl (2R)-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9278098
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide
CID 45051055

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate?
The IUPAC name of methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate (CID 71445900) is methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate is COC(=O)C=Cc1ccc(-c2cccc3ccccc23)o1.
What is the InChIKey of methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate?
The InChIKey is UYIBIWZWXBBHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c1-20-18(19)12-10-14-9-11-17(21-14)16-8-4-6-13-5-2-3-7-15(13)16/h2-12H,1H3.
What are the key properties of methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate?
methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate has a molecular weight of 278.31 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate is sourced from PubChem (CID 71445900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).