2-[(R)-benzylsulfinyl]phenol

C13H12O2S — CID 139142856

IUPAC2-[(R)-benzylsulfinyl]phenol
SMILESO=[S@](Cc1ccccc1)c1ccccc1O
InChIInChI=1S/C13H12O2S/c14-12-8-4-5-9-13(12)16(15)10-11-6-2-1-3-7-11/h1-9,14H,10H2/t16-/m1/s1
InChIKeyOHCBXXLHWRALFL-MRXNPFEDSA-N
MW232.30 g/mol
LogP2.70
Rot. Bonds3

About 2-[(R)-benzylsulfinyl]phenol

2-[(R)-benzylsulfinyl]phenol (PubChem CID 139142856) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[(R)-benzylsulfinyl]phenol.

Molecular Properties

Compound Name2-[(R)-benzylsulfinyl]phenol
PubChem CID139142856
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name2-[(R)-benzylsulfinyl]phenol
SMILESO=[S@](Cc1ccccc1)c1ccccc1O
InChIInChI=1S/C13H12O2S/c14-12-8-4-5-9-13(12)16(15)10-11-6-2-1-3-7-11/h1-9,14H,10H2/t16-/m1/s1
InChIKeyOHCBXXLHWRALFL-MRXNPFEDSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxyphenyl)sulfinylpropanoic acid
CID 84680335
2-[(S)-propan-2-ylsulfinyl]phenol
CID 92860046
2-[(4-fluorophenyl)methylsulfinyl]benzoic acid
CID 54883693
8-[(R)-benzylsulfinyl]quinoline
CID 95559201
2-butylsulfinylphenol
CID 588406
methyl (E)-3-[2-[(R)-benzylsulfinyl]phenyl]prop-2-enoate
CID 134960714
2-[(E)-but-2-enyl]sulfinylphenol
CID 5364817
[2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol
CID 15312400
4-benzylsulfinyl-3-methylaniline
CID 81191892
3-benzylsulfinyl-4-hydroxy-6-methylpyran-2-one
CID 54737320
4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol
CID 81191302
1-[2-(2-benzylsulfinylphenyl)ethenyl]-1-phenylthiourea
CID 175292267

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-benzylsulfinyl]phenol?
The IUPAC name of 2-[(R)-benzylsulfinyl]phenol (CID 139142856) is 2-[(R)-benzylsulfinyl]phenol.
What is the SMILES notation for 2-[(R)-benzylsulfinyl]phenol?
The canonical SMILES for 2-[(R)-benzylsulfinyl]phenol is O=[S@](Cc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[(R)-benzylsulfinyl]phenol?
The InChIKey is OHCBXXLHWRALFL-MRXNPFEDSA-N. The full InChI is InChI=1S/C13H12O2S/c14-12-8-4-5-9-13(12)16(15)10-11-6-2-1-3-7-11/h1-9,14H,10H2/t16-/m1/s1.
What are the key properties of 2-[(R)-benzylsulfinyl]phenol?
2-[(R)-benzylsulfinyl]phenol has a molecular weight of 232.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-benzylsulfinyl]phenol is sourced from PubChem (CID 139142856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).