4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

C13H14O2 — CID 130282207

IUPAC4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESC=Cc1ccc(C(=O)O)c2c1CCCC2
InChIInChI=1S/C13H14O2/c1-2-9-7-8-12(13(14)15)11-6-4-3-5-10(9)11/h2,7-8H,1,3-6H2,(H,14,15)
InChIKeyPNSNUEBWHFLIRH-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.91
Rot. Bonds2

About 4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 130282207) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
PubChem CID130282207
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESC=Cc1ccc(C(=O)O)c2c1CCCC2
InChIInChI=1S/C13H14O2/c1-2-9-7-8-12(13(14)15)11-6-4-3-5-10(9)11/h2,7-8H,1,3-6H2,(H,14,15)
InChIKeyPNSNUEBWHFLIRH-UHFFFAOYSA-N
XLogP2.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid
CID 69347798
4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 22261528
2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 177322497
2-ethenylterephthalic acid
CID 21087698
4,8-bis(ethenyl)naphthalene-1-carboxylic acid
CID 139981483
4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid
CID 139979105
benzoic acid;2-ethenylbenzoic acid
CID 158841861
2-benzoyl-3-benzyl-4-ethenylbenzoic acid
CID 68789435
5-(chloromethyl)-2-ethenylbenzoic acid
CID 154366657
2-ethenylbenzoic acid;europium
CID 174925184
1-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 22993784
2-ethenyl-4-iodobenzoic acid
CID 147251599

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (CID 130282207) is 4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is C=Cc1ccc(C(=O)O)c2c1CCCC2.
What is the InChIKey of 4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is PNSNUEBWHFLIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-9-7-8-12(13(14)15)11-6-4-3-5-10(9)11/h2,7-8H,1,3-6H2,(H,14,15).
What are the key properties of 4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 130282207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).