ethyl 4-ethylsulfanyl-2-hydroxybenzoate

C11H14O3S — CID 91876432

IUPACethyl 4-ethylsulfanyl-2-hydroxybenzoate
SMILESCCOC(=O)c1ccc(SCC)cc1O
InChIInChI=1S/C11H14O3S/c1-3-14-11(13)9-6-5-8(15-4-2)7-10(9)12/h5-7,12H,3-4H2,1-2H3
InChIKeyFPTMKVRKQGWGSY-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.68
Rot. Bonds4

About ethyl 4-ethylsulfanyl-2-hydroxybenzoate

ethyl 4-ethylsulfanyl-2-hydroxybenzoate (PubChem CID 91876432) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is ethyl 4-ethylsulfanyl-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 4-ethylsulfanyl-2-hydroxybenzoate
PubChem CID91876432
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Nameethyl 4-ethylsulfanyl-2-hydroxybenzoate
SMILESCCOC(=O)c1ccc(SCC)cc1O
InChIInChI=1S/C11H14O3S/c1-3-14-11(13)9-6-5-8(15-4-2)7-10(9)12/h5-7,12H,3-4H2,1-2H3
InChIKeyFPTMKVRKQGWGSY-UHFFFAOYSA-N
XLogP2.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-ethylsulfanyl-2-methylbenzoate
CID 91876396
2-ethoxycarbonyl-4-ethylsulfanylbenzoic acid
CID 91876309
ethyl 4-ethylsulfanyl-2-methoxybenzoate
CID 91876131
ethyl 2-bromo-5-ethylsulfanylbenzoate
CID 91876306
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid
CID 21261764
4-ethylsulfanylbenzene-1,2-diol
CID 56979203
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
CID 125477835
ethyl 2-ethylsulfanyl-4-fluorobenzoate
CID 91875883
2-(3-chloro-4-ethoxycarbonylphenyl)sulfanylacetic acid
CID 12993801
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
5-ethylsulfanyl-2-methoxycarbonylbenzoic acid
CID 91876166

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethylsulfanyl-2-hydroxybenzoate?
The IUPAC name of ethyl 4-ethylsulfanyl-2-hydroxybenzoate (CID 91876432) is ethyl 4-ethylsulfanyl-2-hydroxybenzoate.
What is the SMILES notation for ethyl 4-ethylsulfanyl-2-hydroxybenzoate?
The canonical SMILES for ethyl 4-ethylsulfanyl-2-hydroxybenzoate is CCOC(=O)c1ccc(SCC)cc1O.
What is the InChIKey of ethyl 4-ethylsulfanyl-2-hydroxybenzoate?
The InChIKey is FPTMKVRKQGWGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-3-14-11(13)9-6-5-8(15-4-2)7-10(9)12/h5-7,12H,3-4H2,1-2H3.
What are the key properties of ethyl 4-ethylsulfanyl-2-hydroxybenzoate?
ethyl 4-ethylsulfanyl-2-hydroxybenzoate has a molecular weight of 226.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethylsulfanyl-2-hydroxybenzoate is sourced from PubChem (CID 91876432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).