(4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate

C19H16O3S — CID 7891532

IUPAC(4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
SMILESCSc1ccc(COC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C19H16O3S/c1-23-16-8-6-13(7-9-16)12-22-19(21)17-10-14-4-2-3-5-15(14)11-18(17)20/h2-11,20H,12H2,1H3
InChIKeyZSEFSKHQTUUZFX-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.62
Rot. Bonds4

About (4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate

(4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate (PubChem CID 7891532) has the molecular formula C19H16O3S and a molecular weight of 324.40 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
PubChem CID7891532
Molecular FormulaC19H16O3S
Molecular Weight324.40 g/mol
Exact Mass324.08
IUPAC Name(4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
SMILESCSc1ccc(COC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C19H16O3S/c1-23-16-8-6-13(7-9-16)12-22-19(21)17-10-14-4-2-3-5-15(14)11-18(17)20/h2-11,20H,12H2,1H3
InChIKeyZSEFSKHQTUUZFX-UHFFFAOYSA-N
XLogP4.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 977864
(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 895058
(4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 2371734
(4-methylsulfanylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 2578471
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
(4-methylsulfanylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 7694423
(4-methylsulfanylphenyl)methyl 2-(2-cyanophenyl)benzoate
CID 7522795
1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate
CID 40734632
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 2098412
(4-methylsulfanylphenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate
CID 7807552
benzene-1,4-diamine;7-O-benzyl 2-O-methyl 3-hydroxynaphthalene-2,7-dicarboxylate
CID 70005691
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7485849

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of (4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate (CID 7891532) is (4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for (4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for (4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate is CSc1ccc(COC(=O)c2cc3ccccc3cc2O)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is ZSEFSKHQTUUZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3S/c1-23-16-8-6-13(7-9-16)12-22-19(21)17-10-14-4-2-3-5-15(14)11-18(17)20/h2-11,20H,12H2,1H3.
What are the key properties of (4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate?
(4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 324.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 7891532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).