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

C17H12O2S — CID 6306228

IUPAC(Z)-2-naphthalen-1-yl-3-thiophen-2-ylprop-2-enoic acid
SMILESO=C(O)/C(=C\c1cccs1)c1cccc2ccccc12
InChIInChI=1S/C17H12O2S/c18-17(19)16(11-13-7-4-10-20-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,18,19)/b16-11-
InChIKeyWBRZSOAKAYBNIC-WJDWOHSUSA-N
MW280.35 g/mol
LogP4.53
Rot. Bonds3

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

(Z)-2-naphthalen-1-yl-3-thiophen-2-ylprop-2-enoic acid (PubChem CID 6306228) has the molecular formula C17H12O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is (Z)-2-naphthalen-1-yl-3-thiophen-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-naphthalen-1-yl-3-thiophen-2-ylprop-2-enoic acid
PubChem CID6306228
Molecular FormulaC17H12O2S
Molecular Weight280.35 g/mol
Exact Mass280.06
IUPAC Name(Z)-2-naphthalen-1-yl-3-thiophen-2-ylprop-2-enoic acid
SMILESO=C(O)/C(=C\c1cccs1)c1cccc2ccccc12
InChIInChI=1S/C17H12O2S/c18-17(19)16(11-13-7-4-10-20-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,18,19)/b16-11-
InChIKeyWBRZSOAKAYBNIC-WJDWOHSUSA-N
XLogP4.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid
CID 70525450
2-naphthalen-1-yl-4-oxobut-2-enoic acid
CID 173237233
N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451
ethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid
CID 175176672
(Z)-3-(4-ethylphenyl)-2-naphthalen-1-ylprop-2-enoic acid
CID 83953224
2-(thiophen-2-ylmethylidene)propanedioic acid
CID 4714957
(Z)-3-(4-methoxycarbonylphenyl)-2-naphthalen-1-ylprop-2-enoic acid
CID 83954143
(Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid
CID 83951576
(E)-2-chloro-3-thiophen-2-ylprop-2-enoic acid
CID 88503797
(E)-2-amino-3-thiophen-2-ylprop-2-enoic acid
CID 104830865
(E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide
CID 11379581
2-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enoic acid
CID 68625793

Frequently Asked Questions

What is the IUPAC name of (Z)-2-naphthalen-1-yl-3-thiophen-2-ylprop-2-enoic acid?
The IUPAC name of (Z)-2-naphthalen-1-yl-3-thiophen-2-ylprop-2-enoic acid (CID 6306228) is (Z)-2-naphthalen-1-yl-3-thiophen-2-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-naphthalen-1-yl-3-thiophen-2-ylprop-2-enoic acid?
The canonical SMILES for (Z)-2-naphthalen-1-yl-3-thiophen-2-ylprop-2-enoic acid is O=C(O)/C(=C\c1cccs1)c1cccc2ccccc12.
What is the InChIKey of (Z)-2-naphthalen-1-yl-3-thiophen-2-ylprop-2-enoic acid?
The InChIKey is WBRZSOAKAYBNIC-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H12O2S/c18-17(19)16(11-13-7-4-10-20-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,18,19)/b16-11-.
What are the key properties of (Z)-2-naphthalen-1-yl-3-thiophen-2-ylprop-2-enoic acid?
(Z)-2-naphthalen-1-yl-3-thiophen-2-ylprop-2-enoic acid has a molecular weight of 280.35 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-naphthalen-1-yl-3-thiophen-2-ylprop-2-enoic acid is sourced from PubChem (CID 6306228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).