2-(2-phenylethenoxy)benzoic acid

C15H12O3 — CID 67839973

IUPAC2-(2-phenylethenoxy)benzoic acid
SMILESO=C(O)c1ccccc1OC=Cc1ccccc1
InChIInChI=1S/C15H12O3/c16-15(17)13-8-4-5-9-14(13)18-11-10-12-6-2-1-3-7-12/h1-11H,(H,16,17)
InChIKeyXIPJJWXBBFJYAQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.43
Rot. Bonds4

About 2-(2-phenylethenoxy)benzoic acid

2-(2-phenylethenoxy)benzoic acid (PubChem CID 67839973) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(2-phenylethenoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-phenylethenoxy)benzoic acid
PubChem CID67839973
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2-(2-phenylethenoxy)benzoic acid
SMILESO=C(O)c1ccccc1OC=Cc1ccccc1
InChIInChI=1S/C15H12O3/c16-15(17)13-8-4-5-9-14(13)18-11-10-12-6-2-1-3-7-12/h1-11H,(H,16,17)
InChIKeyXIPJJWXBBFJYAQ-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.43
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-fluorosulfonyloxybenzoic acid
CID 130224552
2-methanehydrazonoyloxybenzoic acid
CID 70116086
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-(2-phenylethenylamino)benzoic acid
CID 69497392
(2-carbamoylphenyl) 3-phenylprop-2-enoate
CID 142713579
carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 137455638
2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid
CID 90941772
2-(3-formylphenoxy)benzoic acid
CID 87842152
2-[dibromo-(2-carboxyphenoxy)methoxy]benzoic acid
CID 142693324
2-phosphorosooxybenzoic acid
CID 69277449
2-sulfooxybenzoic acid;sulfuric acid
CID 68615389
2-bis(2-carboxyphenoxy)phosphoryloxybenzoic acid
CID 23615741

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenoxy)benzoic acid?
The IUPAC name of 2-(2-phenylethenoxy)benzoic acid (CID 67839973) is 2-(2-phenylethenoxy)benzoic acid.
What is the SMILES notation for 2-(2-phenylethenoxy)benzoic acid?
The canonical SMILES for 2-(2-phenylethenoxy)benzoic acid is O=C(O)c1ccccc1OC=Cc1ccccc1.
What is the InChIKey of 2-(2-phenylethenoxy)benzoic acid?
The InChIKey is XIPJJWXBBFJYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-15(17)13-8-4-5-9-14(13)18-11-10-12-6-2-1-3-7-12/h1-11H,(H,16,17).
What are the key properties of 2-(2-phenylethenoxy)benzoic acid?
2-(2-phenylethenoxy)benzoic acid has a molecular weight of 240.26 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenoxy)benzoic acid is sourced from PubChem (CID 67839973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).