methyl 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzoate

C14H11ClO3S — CID 91877024

IUPACmethyl 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzoate
SMILESCOC(=O)c1cc(Sc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C14H11ClO3S/c1-18-14(17)12-8-11(6-7-13(12)16)19-10-4-2-9(15)3-5-10/h2-8,16H,1H3
InChIKeyDLNZXJMLVNVUDL-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.98
Rot. Bonds3

About methyl 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzoate

methyl 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzoate (PubChem CID 91877024) has the molecular formula C14H11ClO3S and a molecular weight of 294.76 g/mol. Its IUPAC name is methyl 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzoate
PubChem CID91877024
Molecular FormulaC14H11ClO3S
Molecular Weight294.76 g/mol
Exact Mass294.01
IUPAC Namemethyl 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzoate
SMILESCOC(=O)c1cc(Sc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C14H11ClO3S/c1-18-14(17)12-8-11(6-7-13(12)16)19-10-4-2-9(15)3-5-10/h2-8,16H,1H3
InChIKeyDLNZXJMLVNVUDL-UHFFFAOYSA-N
XLogP3.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(4-bromophenyl)sulfanyl-2-chlorobenzoate
CID 91876694
methyl 4-(4-chlorophenyl)sulfanylthiophene-3-carboxylate
CID 2778937
methyl 3-amino-2-(4-chlorophenyl)sulfanylbenzoate
CID 112579969
methyl 4-(4-ethylphenyl)sulfanyl-2-hydroxybenzoate
CID 91879403
methyl 4-(4-hydroxy-3-iodophenyl)sulfanylbenzoate
CID 91879812
2-methoxycarbonyl-4-(4-methoxycarbonylphenyl)sulfanylbenzoic acid
CID 91878764
methyl 4-(4-chlorophenyl)sulfanylnaphthalene-1-carboxylate
CID 175280034
dimethyl 5-(4-ethylphenyl)sulfanyl-3-hydroxybenzene-1,2-dicarboxylate
CID 101478854
methyl 5-(4-bromophenyl)sulfanyl-2-iodobenzoate
CID 91877184
2-methoxycarbonyl-5-(4-methoxyphenyl)sulfanylbenzoic acid
CID 91879038
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
methyl 4-chlorosulfanyl-2-hydroxybenzoate
CID 87620166

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzoate?
The IUPAC name of methyl 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzoate (CID 91877024) is methyl 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzoate?
The canonical SMILES for methyl 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzoate is COC(=O)c1cc(Sc2ccc(Cl)cc2)ccc1O.
What is the InChIKey of methyl 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzoate?
The InChIKey is DLNZXJMLVNVUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3S/c1-18-14(17)12-8-11(6-7-13(12)16)19-10-4-2-9(15)3-5-10/h2-8,16H,1H3.
What are the key properties of methyl 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzoate?
methyl 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzoate has a molecular weight of 294.76 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzoate is sourced from PubChem (CID 91877024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).