(Z)-3-(furan-3-yl)-1-(2-methoxynaphthalen-1-yl)prop-2-en-1-one

C18H14O3 — CID 7285157

IUPAC(Z)-3-(furan-3-yl)-1-(2-methoxynaphthalen-1-yl)prop-2-en-1-one
SMILESCOc1ccc2ccccc2c1C(=O)/C=C\c1ccoc1
InChIInChI=1S/C18H14O3/c1-20-17-9-7-14-4-2-3-5-15(14)18(17)16(19)8-6-13-10-11-21-12-13/h2-12H,1H3/b8-6-
InChIKeyWJRRCQTXSDOXSG-VURMDHGXSA-N
MW278.31 g/mol
LogP4.34
Rot. Bonds4

About (Z)-3-(furan-3-yl)-1-(2-methoxynaphthalen-1-yl)prop-2-en-1-one

(Z)-3-(furan-3-yl)-1-(2-methoxynaphthalen-1-yl)prop-2-en-1-one (PubChem CID 7285157) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is (Z)-3-(furan-3-yl)-1-(2-methoxynaphthalen-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(furan-3-yl)-1-(2-methoxynaphthalen-1-yl)prop-2-en-1-one
PubChem CID7285157
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name(Z)-3-(furan-3-yl)-1-(2-methoxynaphthalen-1-yl)prop-2-en-1-one
SMILESCOc1ccc2ccccc2c1C(=O)/C=C\c1ccoc1
InChIInChI=1S/C18H14O3/c1-20-17-9-7-14-4-2-3-5-15(14)18(17)16(19)8-6-13-10-11-21-12-13/h2-12H,1H3/b8-6-
InChIKeyWJRRCQTXSDOXSG-VURMDHGXSA-N
XLogP4.34
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.34
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 (Z)-3-(furan-3-yl)-1-(2-methoxynaphthalen-1-yl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(furan-3-yl)-1-(2-methoxynaphthalen-1-yl)prop-2-en-1-one (CID 7285157) is (Z)-3-(furan-3-yl)-1-(2-methoxynaphthalen-1-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(furan-3-yl)-1-(2-methoxynaphthalen-1-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(furan-3-yl)-1-(2-methoxynaphthalen-1-yl)prop-2-en-1-one is COc1ccc2ccccc2c1C(=O)/C=C\c1ccoc1.
What is the InChIKey of (Z)-3-(furan-3-yl)-1-(2-methoxynaphthalen-1-yl)prop-2-en-1-one?
The InChIKey is WJRRCQTXSDOXSG-VURMDHGXSA-N. The full InChI is InChI=1S/C18H14O3/c1-20-17-9-7-14-4-2-3-5-15(14)18(17)16(19)8-6-13-10-11-21-12-13/h2-12H,1H3/b8-6-.
What are the key properties of (Z)-3-(furan-3-yl)-1-(2-methoxynaphthalen-1-yl)prop-2-en-1-one?
(Z)-3-(furan-3-yl)-1-(2-methoxynaphthalen-1-yl)prop-2-en-1-one has a molecular weight of 278.31 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(furan-3-yl)-1-(2-methoxynaphthalen-1-yl)prop-2-en-1-one is sourced from PubChem (CID 7285157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).