2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate

C15H12Cl2O3S — CID 7695990

IUPAC2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate
SMILESO=C(OCCSc1cc(Cl)ccc1Cl)c1ccc(O)cc1
InChIInChI=1S/C15H12Cl2O3S/c16-11-3-6-13(17)14(9-11)21-8-7-20-15(19)10-1-4-12(18)5-2-10/h1-6,9,18H,7-8H2
InChIKeyKZIPRZMNANORHU-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.65
Rot. Bonds5

About 2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate

2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate (PubChem CID 7695990) has the molecular formula C15H12Cl2O3S and a molecular weight of 343.23 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate
PubChem CID7695990
Molecular FormulaC15H12Cl2O3S
Molecular Weight343.23 g/mol
Exact Mass341.99
IUPAC Name2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate
SMILESO=C(OCCSc1cc(Cl)ccc1Cl)c1ccc(O)cc1
InChIInChI=1S/C15H12Cl2O3S/c16-11-3-6-13(17)14(9-11)21-8-7-20-15(19)10-1-4-12(18)5-2-10/h1-6,9,18H,7-8H2
InChIKeyKZIPRZMNANORHU-UHFFFAOYSA-N
XLogP4.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichlorophenyl)sulfanylethyl 4-(tetrazol-1-yl)benzoate
CID 7715845
3-[2-(2,5-dichlorophenyl)sulfanylethoxy]benzoic acid
CID 22683549
ethyl 4-chloro-3-ethylsulfanylbenzoate
CID 91876324
2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate
CID 22287065
4-[2-(2,5-dichlorophenyl)sulfanylethoxy]aniline
CID 43366280
2-(2,5-dichlorophenyl)sulfanylethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7542347
10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
CID 3896266
6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
CID 19881496
2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone
CID 43218405
2-(4-cyano-2-nitrophenyl)sulfanylethyl 4-chlorobenzoate
CID 2740699
methyl 3-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]-2-methylpropanoate
CID 66115350
propyl 4-hydroxybenzoate
CID 66683808

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate (CID 7695990) is 2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate is O=C(OCCSc1cc(Cl)ccc1Cl)c1ccc(O)cc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate?
The InChIKey is KZIPRZMNANORHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3S/c16-11-3-6-13(17)14(9-11)21-8-7-20-15(19)10-1-4-12(18)5-2-10/h1-6,9,18H,7-8H2.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate?
2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate has a molecular weight of 343.23 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanylethyl 4-hydroxybenzoate is sourced from PubChem (CID 7695990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).