2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate

C18H13O4S- — CID 11888548

IUPAC2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate
SMILESO=C([O-])c1ccccc1[S@](=O)c1cccc2cccc(CO)c12
InChIInChI=1S/C18H14O4S/c19-11-13-7-3-5-12-6-4-10-16(17(12)13)23(22)15-9-2-1-8-14(15)18(20)21/h1-10,19H,11H2,(H,20,21)/p-1/t23-/m0/s1
InChIKeyHDOYWJCRKIAWOZ-QHCPKHFHSA-M
MW325.37 g/mol
LogP1.86
Rot. Bonds4

About 2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate

2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate (PubChem CID 11888548) has the molecular formula C18H13O4S- and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate.

Molecular Properties

Compound Name2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate
PubChem CID11888548
Molecular FormulaC18H13O4S-
Molecular Weight325.37 g/mol
Exact Mass325.05
IUPAC Name2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate
SMILESO=C([O-])c1ccccc1[S@](=O)c1cccc2cccc(CO)c12
InChIInChI=1S/C18H14O4S/c19-11-13-7-3-5-12-6-4-10-16(17(12)13)23(22)15-9-2-1-8-14(15)18(20)21/h1-10,19H,11H2,(H,20,21)/p-1/t23-/m0/s1
InChIKeyHDOYWJCRKIAWOZ-QHCPKHFHSA-M
XLogP1.86
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate 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

8-[(S)-[2-(hydroxymethyl)phenyl]sulfinyl]naphthalene-1-carboxylate
CID 18389113
methyl 2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate
CID 11859448
2-[(S)-(9,10-dioxoanthracen-1-yl)sulfinyl]benzoate
CID 11890222
2-(2-carboxyphenyl)sulfinylbenzoate;tetrapropylazanium
CID 18948207
(8-ethylnaphthalen-1-yl)methanol
CID 59514335
benzyl(triphenyl)phosphanium;2-(2-carboxyphenyl)sulfinylbenzoate
CID 18948060
2-(2-carboxyphenyl)sulfinylbenzoate;tetrapentylazanium
CID 159793510
[2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol
CID 15312401
[8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol
CID 12507693
2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese
CID 67782178
2-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzoate
CID 2405590
bis(2-ethylbenzoate);lead(2+)
CID 101297382

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate?
The IUPAC name of 2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate (CID 11888548) is 2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate.
What is the SMILES notation for 2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate?
The canonical SMILES for 2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate is O=C([O-])c1ccccc1[S@](=O)c1cccc2cccc(CO)c12.
What is the InChIKey of 2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate?
The InChIKey is HDOYWJCRKIAWOZ-QHCPKHFHSA-M. The full InChI is InChI=1S/C18H14O4S/c19-11-13-7-3-5-12-6-4-10-16(17(12)13)23(22)15-9-2-1-8-14(15)18(20)21/h1-10,19H,11H2,(H,20,21)/p-1/t23-/m0/s1.
What are the key properties of 2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate?
2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate has a molecular weight of 325.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate is sourced from PubChem (CID 11888548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).