(E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one

C18H14O2S — CID 82185585

IUPAC(E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one
SMILESCOc1ccc2ccccc2c1/C=C/C(=O)c1cccs1
InChIInChI=1S/C18H14O2S/c1-20-17-11-8-13-5-2-3-6-14(13)15(17)9-10-16(19)18-7-4-12-21-18/h2-12H,1H3/b10-9+
InChIKeyQYUPKCCRLLDQAF-MDZDMXLPSA-N
MW294.38 g/mol
LogP4.81
Rot. Bonds4

About (E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one

(E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 82185585) has the molecular formula C18H14O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is (E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one
PubChem CID82185585
Molecular FormulaC18H14O2S
Molecular Weight294.38 g/mol
Exact Mass294.07
IUPAC Name(E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one
SMILESCOc1ccc2ccccc2c1/C=C/C(=O)c1cccs1
InChIInChI=1S/C18H14O2S/c1-20-17-11-8-13-5-2-3-6-14(13)15(17)9-10-16(19)18-7-4-12-21-18/h2-12H,1H3/b10-9+
InChIKeyQYUPKCCRLLDQAF-MDZDMXLPSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.81
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

(Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid
CID 22684789
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
CID 5351689
(E)-3-anthracen-9-yl-1-thiophen-2-ylprop-2-en-1-one
CID 44885765
(Z)-3-anthracen-9-yl-1-thiophen-2-ylprop-2-en-1-one
CID 139077299
(E)-4-(2-methoxynaphthalen-1-yl)-2-oxobut-3-enoic acid
CID 82161137
3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 169482467
ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
CID 24905749
(E)-3-[3-[(2-ethoxyphenoxy)methyl]-4-methoxyphenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 19544755
2-methoxy-1-[2-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]ethenyl]naphthalene
CID 75293754
(E)-3-[3-methoxy-4-(phenylsulfanylmethyl)phenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 19544627
N-[(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]thiophene-2-carboxamide
CID 126339096
(E)-3-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 19544620

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one (CID 82185585) is (E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one is COc1ccc2ccccc2c1/C=C/C(=O)c1cccs1.
What is the InChIKey of (E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is QYUPKCCRLLDQAF-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H14O2S/c1-20-17-11-8-13-5-2-3-6-14(13)15(17)9-10-16(19)18-7-4-12-21-18/h2-12H,1H3/b10-9+.
What are the key properties of (E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one?
(E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 294.38 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 82185585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).