2-ethyl-4-phenoxybenzoic acid;tungsten

C15H14O3W — CID 167701074

IUPAC2-ethyl-4-phenoxybenzoic acid;tungsten
SMILESCCc1cc(Oc2ccccc2)ccc1C(=O)O.[W]
InChIInChI=1S/C15H14O3.W/c1-2-11-10-13(8-9-14(11)15(16)17)18-12-6-4-3-5-7-12;/h3-10H,2H2,1H3,(H,16,17);
InChIKeyJREIHXDXROKWSJ-UHFFFAOYSA-N
MW426.11 g/mol
LogP3.74
Rot. Bonds4

About 2-ethyl-4-phenoxybenzoic acid;tungsten

2-ethyl-4-phenoxybenzoic acid;tungsten (PubChem CID 167701074) has the molecular formula C15H14O3W and a molecular weight of 426.11 g/mol. Its IUPAC name is 2-ethyl-4-phenoxybenzoic acid;tungsten.

Molecular Properties

Compound Name2-ethyl-4-phenoxybenzoic acid;tungsten
PubChem CID167701074
Molecular FormulaC15H14O3W
Molecular Weight426.11 g/mol
Exact Mass426.05
IUPAC Name2-ethyl-4-phenoxybenzoic acid;tungsten
SMILESCCc1cc(Oc2ccccc2)ccc1C(=O)O.[W]
InChIInChI=1S/C15H14O3.W/c1-2-11-10-13(8-9-14(11)15(16)17)18-12-6-4-3-5-7-12;/h3-10H,2H2,1H3,(H,16,17);
InChIKeyJREIHXDXROKWSJ-UHFFFAOYSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.11
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-ethyl-4-phenoxybenzoate
CID 154641333
4-[4-carboxy-3-(2-chloro-2-oxoethyl)phenoxy]-2-(2-chloro-2-oxoethyl)benzoic acid
CID 90387151
2-methoxycarbonyl-4-phenoxybenzoic acid
CID 142601044
2-ethyl-4-methylbenzoic acid
CID 19886963
1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone
CID 155782277
2-ethylbenzoic acid;tungsten
CID 23518478
2-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
CID 104501025
2-(diethylamino)-1-(2-methyl-4-phenoxyphenyl)ethanone
CID 82051101
2-ethyl-5-methylsulfonyl-4-phenoxybenzoic acid
CID 21463749
4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid
CID 169219514
1-methyl-4-phenoxybenzene;phthalic acid
CID 70486584
1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
CID 166874046

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-phenoxybenzoic acid;tungsten?
The IUPAC name of 2-ethyl-4-phenoxybenzoic acid;tungsten (CID 167701074) is 2-ethyl-4-phenoxybenzoic acid;tungsten.
What is the SMILES notation for 2-ethyl-4-phenoxybenzoic acid;tungsten?
The canonical SMILES for 2-ethyl-4-phenoxybenzoic acid;tungsten is CCc1cc(Oc2ccccc2)ccc1C(=O)O.[W].
What is the InChIKey of 2-ethyl-4-phenoxybenzoic acid;tungsten?
The InChIKey is JREIHXDXROKWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3.W/c1-2-11-10-13(8-9-14(11)15(16)17)18-12-6-4-3-5-7-12;/h3-10H,2H2,1H3,(H,16,17);.
What are the key properties of 2-ethyl-4-phenoxybenzoic acid;tungsten?
2-ethyl-4-phenoxybenzoic acid;tungsten has a molecular weight of 426.11 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-phenoxybenzoic acid;tungsten is sourced from PubChem (CID 167701074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).