4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid

C20H14O5 — CID 141069267

IUPAC4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2c(O)cccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H14O5/c21-17-8-4-7-16(18(22)13-5-2-1-3-6-13)19(17)25-15-11-9-14(10-12-15)20(23)24/h1-12,21H,(H,23,24)
InChIKeyPHPKRWBKYVBJPR-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.11
Rot. Bonds5

About 4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid

4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid (PubChem CID 141069267) has the molecular formula C20H14O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid.

Molecular Properties

Compound Name4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid
PubChem CID141069267
Molecular FormulaC20H14O5
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC Name4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2c(O)cccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H14O5/c21-17-8-4-7-16(18(22)13-5-2-1-3-6-13)19(17)25-15-11-9-14(10-12-15)20(23)24/h1-12,21H,(H,23,24)
InChIKeyPHPKRWBKYVBJPR-UHFFFAOYSA-N
XLogP4.11
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-phenoxybenzoic acid
CID 53406644
[3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 19828743
3-[4-(3-amino-2-phenoxybenzoyl)phenoxy]benzoic acid
CID 19862065
(3-methyl-2-phenoxyphenyl)-phenylmethanone
CID 154260379
(2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone
CID 22633824
4-benzoyl-3-(4-carboxyphenoxy)benzoic acid
CID 70204414
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
4-(2,6-diphenylphenoxy)benzoic acid
CID 139330345
[3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone
CID 175988211
4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-(4-carboxyphenoxy)benzoic acid;2-[(2-carboxyphenyl)methyl]benzoic acid
CID 70360601
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid?
The IUPAC name of 4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid (CID 141069267) is 4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid.
What is the SMILES notation for 4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid?
The canonical SMILES for 4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid is O=C(O)c1ccc(Oc2c(O)cccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid?
The InChIKey is PHPKRWBKYVBJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O5/c21-17-8-4-7-16(18(22)13-5-2-1-3-6-13)19(17)25-15-11-9-14(10-12-15)20(23)24/h1-12,21H,(H,23,24).
What are the key properties of 4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid?
4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid has a molecular weight of 334.33 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid is sourced from PubChem (CID 141069267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).