ethyl 4-(4-hydroxyphenyl)sulfanylbenzoate

C15H14O3S — CID 91879838

IUPACethyl 4-(4-hydroxyphenyl)sulfanylbenzoate
SMILESCCOC(=O)c1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/C15H14O3S/c1-2-18-15(17)11-3-7-13(8-4-11)19-14-9-5-12(16)6-10-14/h3-10,16H,2H2,1H3
InChIKeyKMKVAVHGFMTEON-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.72
Rot. Bonds4

About ethyl 4-(4-hydroxyphenyl)sulfanylbenzoate

ethyl 4-(4-hydroxyphenyl)sulfanylbenzoate (PubChem CID 91879838) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is ethyl 4-(4-hydroxyphenyl)sulfanylbenzoate.

Molecular Properties

Compound Nameethyl 4-(4-hydroxyphenyl)sulfanylbenzoate
PubChem CID91879838
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Nameethyl 4-(4-hydroxyphenyl)sulfanylbenzoate
SMILESCCOC(=O)c1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/C15H14O3S/c1-2-18-15(17)11-3-7-13(8-4-11)19-14-9-5-12(16)6-10-14/h3-10,16H,2H2,1H3
InChIKeyKMKVAVHGFMTEON-UHFFFAOYSA-N
XLogP3.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-phenylsulfanylbenzoate
CID 15573904
ethyl 4-hydroxybenzoate;bis(4-hydroxybenzoic acid)
CID 162068565
ethyl 4-(3-hydroxy-4-iodophenyl)sulfanylbenzoate
CID 91878121
ethyl 4-hydroxybenzoate;propane-1,2,3-triol
CID 158935793
ethyl 4-(3-amino-4-methoxyphenyl)sulfanylbenzoate
CID 91879059
ethyl 4-propylsulfanylbenzoate
CID 82553757
butyl 4-hydroxybenzoate;ethyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 118197225
2-[4-(4-ethoxycarbonylphenyl)sulfanyl-2-fluorophenyl]acetic acid
CID 91879296
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-hydroxybenzoate;propylbenzene
CID 174891390
propyl 4-hydroxybenzoate
CID 66683808
ethyl 4-methylbenzoate;hydrochloride
CID 172804692

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydroxyphenyl)sulfanylbenzoate?
The IUPAC name of ethyl 4-(4-hydroxyphenyl)sulfanylbenzoate (CID 91879838) is ethyl 4-(4-hydroxyphenyl)sulfanylbenzoate.
What is the SMILES notation for ethyl 4-(4-hydroxyphenyl)sulfanylbenzoate?
The canonical SMILES for ethyl 4-(4-hydroxyphenyl)sulfanylbenzoate is CCOC(=O)c1ccc(Sc2ccc(O)cc2)cc1.
What is the InChIKey of ethyl 4-(4-hydroxyphenyl)sulfanylbenzoate?
The InChIKey is KMKVAVHGFMTEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-2-18-15(17)11-3-7-13(8-4-11)19-14-9-5-12(16)6-10-14/h3-10,16H,2H2,1H3.
What are the key properties of ethyl 4-(4-hydroxyphenyl)sulfanylbenzoate?
ethyl 4-(4-hydroxyphenyl)sulfanylbenzoate has a molecular weight of 274.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxyphenyl)sulfanylbenzoate is sourced from PubChem (CID 91879838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).