4-(2-methylphenoxy)benzoate

C14H11O3- — CID 7010211

IUPAC4-(2-methylphenoxy)benzoate
SMILESCc1ccccc1Oc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C14H12O3/c1-10-4-2-3-5-13(10)17-12-8-6-11(7-9-12)14(15)16/h2-9H,1H3,(H,15,16)/p-1
InChIKeyNDATUJNTHWUURZ-UHFFFAOYSA-M
MW227.24 g/mol
LogP2.15
Rot. Bonds3

About 4-(2-methylphenoxy)benzoate

4-(2-methylphenoxy)benzoate (PubChem CID 7010211) has the molecular formula C14H11O3- and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-(2-methylphenoxy)benzoate.

Molecular Properties

Compound Name4-(2-methylphenoxy)benzoate
PubChem CID7010211
Molecular FormulaC14H11O3-
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name4-(2-methylphenoxy)benzoate
SMILESCc1ccccc1Oc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C14H12O3/c1-10-4-2-3-5-13(10)17-12-8-6-11(7-9-12)14(15)16/h2-9H,1H3,(H,15,16)/p-1
InChIKeyNDATUJNTHWUURZ-UHFFFAOYSA-M
XLogP2.15
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylphenoxy)benzenecarbothioamide
CID 20985850
2-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465
ethane;1-methyl-2-phenoxybenzene
CID 90950955
4-(4-fluorophenoxy)benzoate
CID 7009390
2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate
CID 4124714
4-(2,3-dimethylphenoxy)benzoic acid
CID 20987074
5-(2-methylphenoxy)pyridine-2-carboxylic acid
CID 83643883
4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841204
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 160597039
sodium 2-(2-methylphenoxy)acetate
CID 23664336

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)benzoate?
The IUPAC name of 4-(2-methylphenoxy)benzoate (CID 7010211) is 4-(2-methylphenoxy)benzoate.
What is the SMILES notation for 4-(2-methylphenoxy)benzoate?
The canonical SMILES for 4-(2-methylphenoxy)benzoate is Cc1ccccc1Oc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-(2-methylphenoxy)benzoate?
The InChIKey is NDATUJNTHWUURZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12O3/c1-10-4-2-3-5-13(10)17-12-8-6-11(7-9-12)14(15)16/h2-9H,1H3,(H,15,16)/p-1.
What are the key properties of 4-(2-methylphenoxy)benzoate?
4-(2-methylphenoxy)benzoate has a molecular weight of 227.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)benzoate is sourced from PubChem (CID 7010211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).