benzoic acid;2-phenoxybenzoic acid

C20H16O5 — CID 160712085

IUPACbenzoic acid;2-phenoxybenzoic acid
SMILESO=C(O)c1ccccc1.O=C(O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C13H10O3.C7H6O2/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10;8-7(9)6-4-2-1-3-5-6/h1-9H,(H,14,15);1-5H,(H,8,9)
InChIKeyRRZMCVMGLJOVAY-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.56
Rot. Bonds4

About benzoic acid;2-phenoxybenzoic acid

benzoic acid;2-phenoxybenzoic acid (PubChem CID 160712085) has the molecular formula C20H16O5 and a molecular weight of 336.34 g/mol. Its IUPAC name is benzoic acid;2-phenoxybenzoic acid.

Molecular Properties

Compound Namebenzoic acid;2-phenoxybenzoic acid
PubChem CID160712085
Molecular FormulaC20H16O5
Molecular Weight336.34 g/mol
Exact Mass336.10
IUPAC Namebenzoic acid;2-phenoxybenzoic acid
SMILESO=C(O)c1ccccc1.O=C(O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C13H10O3.C7H6O2/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10;8-7(9)6-4-2-1-3-5-6/h1-9H,(H,14,15);1-5H,(H,8,9)
InChIKeyRRZMCVMGLJOVAY-UHFFFAOYSA-N
XLogP4.56
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxybenzoic acid;propan-2-ol
CID 159883753
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-(4-formylphenoxy)benzoic acid
CID 19374993
phenyl 2-phenoxybenzoate
CID 2471273
2-(4-nitrophenoxy)benzoic acid
CID 139059188
cyclodecapentaenecarboxylic acid;methane
CID 162272407
2-(4-phenoxyphenoxy)benzoate
CID 6946814
4-phenoxybenzoic acid;hydrochloride
CID 70385625
2-(3-formylphenoxy)benzoic acid
CID 87842152
2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426
4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid
CID 56607371

Frequently Asked Questions

What is the IUPAC name of benzoic acid;2-phenoxybenzoic acid?
The IUPAC name of benzoic acid;2-phenoxybenzoic acid (CID 160712085) is benzoic acid;2-phenoxybenzoic acid.
What is the SMILES notation for benzoic acid;2-phenoxybenzoic acid?
The canonical SMILES for benzoic acid;2-phenoxybenzoic acid is O=C(O)c1ccccc1.O=C(O)c1ccccc1Oc1ccccc1.
What is the InChIKey of benzoic acid;2-phenoxybenzoic acid?
The InChIKey is RRZMCVMGLJOVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3.C7H6O2/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10;8-7(9)6-4-2-1-3-5-6/h1-9H,(H,14,15);1-5H,(H,8,9).
What are the key properties of benzoic acid;2-phenoxybenzoic acid?
benzoic acid;2-phenoxybenzoic acid has a molecular weight of 336.34 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;2-phenoxybenzoic acid is sourced from PubChem (CID 160712085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).