2-[(E)-pent-2-en-2-yl]benzoic acid

C12H14O2 — CID 168936583

IUPAC2-[(E)-pent-2-en-2-yl]benzoic acid
SMILESCC/C=C(\C)c1ccccc1C(=O)O
InChIInChI=1S/C12H14O2/c1-3-6-9(2)10-7-4-5-8-11(10)12(13)14/h4-8H,3H2,1-2H3,(H,13,14)/b9-6+
InChIKeyUQIBDNVHJVEKFW-RMKNXTFCSA-N
MW190.24 g/mol
LogP3.20
Rot. Bonds3

About 2-[(E)-pent-2-en-2-yl]benzoic acid

2-[(E)-pent-2-en-2-yl]benzoic acid (PubChem CID 168936583) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-[(E)-pent-2-en-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[(E)-pent-2-en-2-yl]benzoic acid
PubChem CID168936583
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-[(E)-pent-2-en-2-yl]benzoic acid
SMILESCC/C=C(\C)c1ccccc1C(=O)O
InChIInChI=1S/C12H14O2/c1-3-6-9(2)10-7-4-5-8-11(10)12(13)14/h4-8H,3H2,1-2H3,(H,13,14)/b9-6+
InChIKeyUQIBDNVHJVEKFW-RMKNXTFCSA-N
XLogP3.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

phthalic acid;propanal
CID 160555514
barium(2+);hydride;phthalic acid
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acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
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methyl 2-hydroxy-3-[(Z)-pent-2-en-2-yl]benzoate
CID 143966342
2-[(E)-1-(4-fluorophenyl)but-1-enyl]benzoic acid
CID 138975121
ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene
CID 142163032
naphthalene;phthalic acid
CID 158069637
methanediol;phthalic acid
CID 70525231
decane;phthalic acid
CID 158763790
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pent-2-en-2-yl]benzoic acid?
The IUPAC name of 2-[(E)-pent-2-en-2-yl]benzoic acid (CID 168936583) is 2-[(E)-pent-2-en-2-yl]benzoic acid.
What is the SMILES notation for 2-[(E)-pent-2-en-2-yl]benzoic acid?
The canonical SMILES for 2-[(E)-pent-2-en-2-yl]benzoic acid is CC/C=C(\C)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(E)-pent-2-en-2-yl]benzoic acid?
The InChIKey is UQIBDNVHJVEKFW-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-6-9(2)10-7-4-5-8-11(10)12(13)14/h4-8H,3H2,1-2H3,(H,13,14)/b9-6+.
What are the key properties of 2-[(E)-pent-2-en-2-yl]benzoic acid?
2-[(E)-pent-2-en-2-yl]benzoic acid has a molecular weight of 190.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-2-en-2-yl]benzoic acid is sourced from PubChem (CID 168936583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).