(Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid

C18H14O3S — CID 22684789

IUPAC(Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid
SMILESCOc1ccc2ccccc2c1/C=C(/C(=O)O)c1cccs1
InChIInChI=1S/C18H14O3S/c1-21-16-9-8-12-5-2-3-6-13(12)14(16)11-15(18(19)20)17-7-4-10-22-17/h2-11H,1H3,(H,19,20)/b15-11+
InChIKeyVQCNNJJFRNZHJO-RVDMUPIBSA-N
MW310.37 g/mol
LogP4.54
Rot. Bonds4

About (Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid

(Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid (PubChem CID 22684789) has the molecular formula C18H14O3S and a molecular weight of 310.37 g/mol. Its IUPAC name is (Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid
PubChem CID22684789
Molecular FormulaC18H14O3S
Molecular Weight310.37 g/mol
Exact Mass310.07
IUPAC Name(Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid
SMILESCOc1ccc2ccccc2c1/C=C(/C(=O)O)c1cccs1
InChIInChI=1S/C18H14O3S/c1-21-16-9-8-12-5-2-3-6-13(12)14(16)11-15(18(19)20)17-7-4-10-22-17/h2-11H,1H3,(H,19,20)/b15-11+
InChIKeyVQCNNJJFRNZHJO-RVDMUPIBSA-N
XLogP4.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
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-[3-(dimethylamino)propoxy]naphthalen-1-yl]-2-thiophen-2-ylprop-2-enoic acid
CID 22684541
(E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 82185585
(Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 6390190
(E)-3-(3-methoxy-2-phenylmethoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 22680708
(E)-4-(2-methoxynaphthalen-1-yl)-2-oxobut-3-enoic acid
CID 82161137
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 20994247
(Z)-3-[3-methoxy-4-(3-phenylpropoxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid
CID 20989344
N-[(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]thiophene-2-carboxamide
CID 126339096
(E)-3-[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]-2-thiophen-2-ylprop-2-enoic acid
CID 20986596
(E)-3-(2,3,4,5,6-pentafluorophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 43169990
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
CID 5351689
(E)-3-(4,5-dimethoxy-2-nitrophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 112720405

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid?
The IUPAC name of (Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid (CID 22684789) is (Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid?
The canonical SMILES for (Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid is COc1ccc2ccccc2c1/C=C(/C(=O)O)c1cccs1.
What is the InChIKey of (Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid?
The InChIKey is VQCNNJJFRNZHJO-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H14O3S/c1-21-16-9-8-12-5-2-3-6-13(12)14(16)11-15(18(19)20)17-7-4-10-22-17/h2-11H,1H3,(H,19,20)/b15-11+.
What are the key properties of (Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid?
(Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid has a molecular weight of 310.37 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid is sourced from PubChem (CID 22684789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).