2-pent-2-en-3-yloxybenzoic acid

C12H14O3 — CID 91304181

IUPAC2-pent-2-en-3-yloxybenzoic acid
SMILESCC=C(CC)Oc1ccccc1C(=O)O
InChIInChI=1S/C12H14O3/c1-3-9(4-2)15-11-8-6-5-7-10(11)12(13)14/h3,5-8H,4H2,1-2H3,(H,13,14)
InChIKeyDPKQCPDXBDMPHW-UHFFFAOYSA-N
MW206.24 g/mol
LogP3.08
Rot. Bonds4

About 2-pent-2-en-3-yloxybenzoic acid

2-pent-2-en-3-yloxybenzoic acid (PubChem CID 91304181) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-pent-2-en-3-yloxybenzoic acid.

Molecular Properties

Compound Name2-pent-2-en-3-yloxybenzoic acid
PubChem CID91304181
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-pent-2-en-3-yloxybenzoic acid
SMILESCC=C(CC)Oc1ccccc1C(=O)O
InChIInChI=1S/C12H14O3/c1-3-9(4-2)15-11-8-6-5-7-10(11)12(13)14/h3,5-8H,4H2,1-2H3,(H,13,14)
InChIKeyDPKQCPDXBDMPHW-UHFFFAOYSA-N
XLogP3.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-acetyloxybenzoic acid;azane;ethanol;hydrate
CID 174981083
2-henicosa-4,7,10,13,16,19-hexaenoyloxybenzoic acid
CID 123878654
2-(2-ethoxyacetyl)oxybenzoic acid
CID 163885904
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
2-ethoxybenzoic acid;zinc
CID 172723273
2-acetyloxybenzoic acid;ethene
CID 67877309
2-(2-iodo-2-methylpropanoyl)oxybenzoic acid
CID 154609479
2-acetyloxybenzoic acid;(E)-but-2-enedioic acid
CID 135328306
2-acetyloxybenzoic acid;1-phenylbutan-2-one
CID 174706328
2-(2-methylpropanoyloxy)benzoic acid
CID 54224926
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
4-hydroxy-3-pent-2-en-3-yloxybenzoic acid
CID 123883696

Frequently Asked Questions

What is the IUPAC name of 2-pent-2-en-3-yloxybenzoic acid?
The IUPAC name of 2-pent-2-en-3-yloxybenzoic acid (CID 91304181) is 2-pent-2-en-3-yloxybenzoic acid.
What is the SMILES notation for 2-pent-2-en-3-yloxybenzoic acid?
The canonical SMILES for 2-pent-2-en-3-yloxybenzoic acid is CC=C(CC)Oc1ccccc1C(=O)O.
What is the InChIKey of 2-pent-2-en-3-yloxybenzoic acid?
The InChIKey is DPKQCPDXBDMPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-9(4-2)15-11-8-6-5-7-10(11)12(13)14/h3,5-8H,4H2,1-2H3,(H,13,14).
What are the key properties of 2-pent-2-en-3-yloxybenzoic acid?
2-pent-2-en-3-yloxybenzoic acid has a molecular weight of 206.24 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-2-en-3-yloxybenzoic acid is sourced from PubChem (CID 91304181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).