2-(2-carboxyphenoxy)benzoic acid;ethene

C16H14O5 — CID 67642848

IUPAC2-(2-carboxyphenoxy)benzoic acid;ethene
SMILESC=C.O=C(O)c1ccccc1Oc1ccccc1C(=O)O
InChIInChI=1S/C14H10O5.C2H4/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18;1-2/h1-8H,(H,15,16)(H,17,18);1-2H2
InChIKeyRLRDBQWNWSWACV-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.68
Rot. Bonds4

About 2-(2-carboxyphenoxy)benzoic acid;ethene

2-(2-carboxyphenoxy)benzoic acid;ethene (PubChem CID 67642848) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-(2-carboxyphenoxy)benzoic acid;ethene.

Molecular Properties

Compound Name2-(2-carboxyphenoxy)benzoic acid;ethene
PubChem CID67642848
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2-(2-carboxyphenoxy)benzoic acid;ethene
SMILESC=C.O=C(O)c1ccccc1Oc1ccccc1C(=O)O
InChIInChI=1S/C14H10O5.C2H4/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18;1-2/h1-8H,(H,15,16)(H,17,18);1-2H2
InChIKeyRLRDBQWNWSWACV-UHFFFAOYSA-N
XLogP3.68
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63653260
2-acetyloxybenzoic acid;ethene
CID 67877309
benzoic acid;2-phenoxybenzoic acid
CID 160712085
2-(2-nitrophenoxy)benzoic acid
CID 19922477
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
2-(2-hydroxy-5-methylphenoxy)benzoic acid
CID 14221471
3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid
CID 142659865
formaldehyde;phthalic acid
CID 174659618
2-[(4-amino-3-pyridinyl)oxy]benzoic acid
CID 22164896
2-phosphorosooxybenzoic acid
CID 69277449

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxyphenoxy)benzoic acid;ethene?
The IUPAC name of 2-(2-carboxyphenoxy)benzoic acid;ethene (CID 67642848) is 2-(2-carboxyphenoxy)benzoic acid;ethene.
What is the SMILES notation for 2-(2-carboxyphenoxy)benzoic acid;ethene?
The canonical SMILES for 2-(2-carboxyphenoxy)benzoic acid;ethene is C=C.O=C(O)c1ccccc1Oc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-carboxyphenoxy)benzoic acid;ethene?
The InChIKey is RLRDBQWNWSWACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5.C2H4/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18;1-2/h1-8H,(H,15,16)(H,17,18);1-2H2.
What are the key properties of 2-(2-carboxyphenoxy)benzoic acid;ethene?
2-(2-carboxyphenoxy)benzoic acid;ethene has a molecular weight of 286.28 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyphenoxy)benzoic acid;ethene is sourced from PubChem (CID 67642848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).