naphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate

C19H16O3 — CID 4539198

IUPACnaphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCc1ccc(C=CC(=O)OCc2cccc3ccccc23)o1
InChIInChI=1S/C19H16O3/c1-14-9-10-17(22-14)11-12-19(20)21-13-16-7-4-6-15-5-2-3-8-18(15)16/h2-12H,13H2,1H3
InChIKeyQMUCJDMHWCDKJO-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.50
Rot. Bonds4

About naphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate

naphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate (PubChem CID 4539198) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate
PubChem CID4539198
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Namenaphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCc1ccc(C=CC(=O)OCc2cccc3ccccc23)o1
InChIInChI=1S/C19H16O3/c1-14-9-10-17(22-14)11-12-19(20)21-13-16-7-4-6-15-5-2-3-8-18(15)16/h2-12H,13H2,1H3
InChIKeyQMUCJDMHWCDKJO-UHFFFAOYSA-N
XLogP4.50
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.50
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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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate?
The IUPAC name of naphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate (CID 4539198) is naphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate.
What is the SMILES notation for naphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate?
The canonical SMILES for naphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate is Cc1ccc(C=CC(=O)OCc2cccc3ccccc23)o1.
What is the InChIKey of naphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate?
The InChIKey is QMUCJDMHWCDKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-14-9-10-17(22-14)11-12-19(20)21-13-16-7-4-6-15-5-2-3-8-18(15)16/h2-12H,13H2,1H3.
What are the key properties of naphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate?
naphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate has a molecular weight of 292.33 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 3-(5-methylfuran-2-yl)prop-2-enoate is sourced from PubChem (CID 4539198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).