sodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid

C15H15NaO3 — CID 173079346

IUPACsodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid
SMILESCc1ccccc1-c1ccc(C(=O)O)cc1CO.[H-].[Na+]
InChIInChI=1S/C15H14O3.Na.H/c1-10-4-2-3-5-13(10)14-7-6-11(15(17)18)8-12(14)9-16;;/h2-8,16H,9H2,1H3,(H,17,18);;/q;+1;-1
InChIKeyYGXUWJJAWLXFLH-UHFFFAOYSA-N
MW266.27 g/mol
LogP-0.03
Rot. Bonds3

About sodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid

sodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid (PubChem CID 173079346) has the molecular formula C15H15NaO3 and a molecular weight of 266.27 g/mol. Its IUPAC name is sodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid.

Molecular Properties

Compound Namesodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid
PubChem CID173079346
Molecular FormulaC15H15NaO3
Molecular Weight266.27 g/mol
Exact Mass266.09
IUPAC Namesodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid
SMILESCc1ccccc1-c1ccc(C(=O)O)cc1CO.[H-].[Na+]
InChIInChI=1S/C15H14O3.Na.H/c1-10-4-2-3-5-13(10)14-7-6-11(15(17)18)8-12(14)9-16;;/h2-8,16H,9H2,1H3,(H,17,18);;/q;+1;-1
InChIKeyYGXUWJJAWLXFLH-UHFFFAOYSA-N
XLogP-0.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid;hydroxide
CID 67535329
[2-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 172649051
3-benzyl-4-methylbenzoic acid
CID 22349488
benzoic acid;[2-[2-(hydroxymethyl)phenyl]phenyl]methanol
CID 69100469
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
4-(hydroxymethyl)-3-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 167962152
lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride
CID 174801705
3-(1-methoxyethyl)-4-(2-methylphenyl)benzoic acid
CID 58066348
ethyl 3-(hydroxymethyl)-4-phenylbenzoate
CID 175285758
5-(2,2-dimethylpropylcarbamoyl)-2-[2-(hydroxymethyl)phenyl]benzoic acid
CID 91185005
4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid
CID 10633904
biphenylene-2-carboxylic acid;hydrochloride
CID 70419826

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid?
The IUPAC name of sodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid (CID 173079346) is sodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid.
What is the SMILES notation for sodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid?
The canonical SMILES for sodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid is Cc1ccccc1-c1ccc(C(=O)O)cc1CO.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid?
The InChIKey is YGXUWJJAWLXFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3.Na.H/c1-10-4-2-3-5-13(10)14-7-6-11(15(17)18)8-12(14)9-16;;/h2-8,16H,9H2,1H3,(H,17,18);;/q;+1;-1.
What are the key properties of sodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid?
sodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid has a molecular weight of 266.27 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid is sourced from PubChem (CID 173079346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).