(Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid

C17H16O2S — CID 83951585

IUPAC(Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid
SMILESO=C(O)/C(=C\c1cccs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H16O2S/c18-17(19)16(11-15-6-3-9-20-15)14-8-7-12-4-1-2-5-13(12)10-14/h3,6-11H,1-2,4-5H2,(H,18,19)/b16-11-
InChIKeyYWXNHFVSIDHWRO-WJDWOHSUSA-N
MW284.38 g/mol
LogP4.25
Rot. Bonds3

About (Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid

(Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid (PubChem CID 83951585) has the molecular formula C17H16O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is (Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid
PubChem CID83951585
Molecular FormulaC17H16O2S
Molecular Weight284.38 g/mol
Exact Mass284.09
IUPAC Name(Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid
SMILESO=C(O)/C(=C\c1cccs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H16O2S/c18-17(19)16(11-15-6-3-9-20-15)14-8-7-12-4-1-2-5-13(12)10-14/h3,6-11H,1-2,4-5H2,(H,18,19)/b16-11-
InChIKeyYWXNHFVSIDHWRO-WJDWOHSUSA-N
XLogP4.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.25
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

5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
(Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid
CID 83951899
2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid;hydrate
CID 71375341
2-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid
CID 69375742
(E)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoic acid
CID 6199583
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid
CID 57251163
N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9471660
(Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate
CID 2376836
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 9116198
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid?
The IUPAC name of (Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid (CID 83951585) is (Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid?
The canonical SMILES for (Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid is O=C(O)/C(=C\c1cccs1)c1ccc2c(c1)CCCC2.
What is the InChIKey of (Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid?
The InChIKey is YWXNHFVSIDHWRO-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H16O2S/c18-17(19)16(11-15-6-3-9-20-15)14-8-7-12-4-1-2-5-13(12)10-14/h3,6-11H,1-2,4-5H2,(H,18,19)/b16-11-.
What are the key properties of (Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid?
(Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid has a molecular weight of 284.38 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylprop-2-enoic acid is sourced from PubChem (CID 83951585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).