3-(4-methylphenyl)phenolate

C13H11O- — CID 142006672

IUPAC3-(4-methylphenyl)phenolate
SMILESCc1ccc(-c2cccc([O-])c2)cc1
InChIInChI=1S/C13H12O/c1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12/h2-9,14H,1H3/p-1
InChIKeyNRRCYQZPZNDJER-UHFFFAOYSA-M
MW183.23 g/mol
LogP2.74
Rot. Bonds1

About 3-(4-methylphenyl)phenolate

3-(4-methylphenyl)phenolate (PubChem CID 142006672) has the molecular formula C13H11O- and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-(4-methylphenyl)phenolate.

Molecular Properties

Compound Name3-(4-methylphenyl)phenolate
PubChem CID142006672
Molecular FormulaC13H11O-
Molecular Weight183.23 g/mol
Exact Mass183.08
IUPAC Name3-(4-methylphenyl)phenolate
SMILESCc1ccc(-c2cccc([O-])c2)cc1
InChIInChI=1S/C13H12O/c1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12/h2-9,14H,1H3/p-1
InChIKeyNRRCYQZPZNDJER-UHFFFAOYSA-M
XLogP2.74
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

potassium 3-phenylphenolate
CID 23721772
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
1-fluoro-4-[3-(4-methylphenyl)phenyl]benzene
CID 23629230
4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline
CID 131995519
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
3-[1-(4-methylphenyl)ethyl]phenolate
CID 101157087
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)phenolate?
The IUPAC name of 3-(4-methylphenyl)phenolate (CID 142006672) is 3-(4-methylphenyl)phenolate.
What is the SMILES notation for 3-(4-methylphenyl)phenolate?
The canonical SMILES for 3-(4-methylphenyl)phenolate is Cc1ccc(-c2cccc([O-])c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)phenolate?
The InChIKey is NRRCYQZPZNDJER-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12O/c1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12/h2-9,14H,1H3/p-1.
What are the key properties of 3-(4-methylphenyl)phenolate?
3-(4-methylphenyl)phenolate has a molecular weight of 183.23 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)phenolate is sourced from PubChem (CID 142006672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).