2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid

C22H18O4 — CID 21320367

IUPAC2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid
SMILESCc1ccccc1C(=O)c1ccc(Oc2ccccc2CC(=O)O)cc1
InChIInChI=1S/C22H18O4/c1-15-6-2-4-8-19(15)22(25)16-10-12-18(13-11-16)26-20-9-5-3-7-17(20)14-21(23)24/h2-13H,14H2,1H3,(H,23,24)
InChIKeyQGGSBQKXXKBMPT-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.65
Rot. Bonds6

About 2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid

2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid (PubChem CID 21320367) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid
PubChem CID21320367
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid
SMILESCc1ccccc1C(=O)c1ccc(Oc2ccccc2CC(=O)O)cc1
InChIInChI=1S/C22H18O4/c1-15-6-2-4-8-19(15)22(25)16-10-12-18(13-11-16)26-20-9-5-3-7-17(20)14-21(23)24/h2-13H,14H2,1H3,(H,23,24)
InChIKeyQGGSBQKXXKBMPT-UHFFFAOYSA-N
XLogP4.65
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58607338
[2-[(2,3-dimethylphenyl)methyl]phenyl]-(2-phenoxyphenyl)methanone
CID 67847920
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
1-aminopropan-2-one;(2-methylphenyl)-phenylmethanone
CID 143285715
phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone
CID 68914261
[2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone
CID 67943677
2-[2-[(3-methyl-2-pyridinyl)oxy]phenyl]acetic acid
CID 80741818

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid (CID 21320367) is 2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid is Cc1ccccc1C(=O)c1ccc(Oc2ccccc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid?
The InChIKey is QGGSBQKXXKBMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-15-6-2-4-8-19(15)22(25)16-10-12-18(13-11-16)26-20-9-5-3-7-17(20)14-21(23)24/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of 2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid?
2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid has a molecular weight of 346.38 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid is sourced from PubChem (CID 21320367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).