2-[hydroxy(phenyl)methyl]-6-sulfanylphenol

C13H12O2S — CID 12706367

IUPAC2-[hydroxy(phenyl)methyl]-6-sulfanylphenol
SMILESOc1c(S)cccc1C(O)c1ccccc1
InChIInChI=1S/C13H12O2S/c14-12(9-5-2-1-3-6-9)10-7-4-8-11(16)13(10)15/h1-8,12,14-16H
InChIKeyWEUXIVCRBCHNBQ-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.76
Rot. Bonds2

About 2-[hydroxy(phenyl)methyl]-6-sulfanylphenol

2-[hydroxy(phenyl)methyl]-6-sulfanylphenol (PubChem CID 12706367) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]-6-sulfanylphenol.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]-6-sulfanylphenol
PubChem CID12706367
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name2-[hydroxy(phenyl)methyl]-6-sulfanylphenol
SMILESOc1c(S)cccc1C(O)c1ccccc1
InChIInChI=1S/C13H12O2S/c14-12(9-5-2-1-3-6-9)10-7-4-8-11(16)13(10)15/h1-8,12,14-16H
InChIKeyWEUXIVCRBCHNBQ-UHFFFAOYSA-N
XLogP2.76
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol
CID 162539234
[2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol
CID 132774417
[4-[hydroxy(phenyl)methyl]-2,5-diphenylphenyl]-phenylmethanol
CID 101169550
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
(2-amino-3-fluorophenyl)-phenylmethanol
CID 105470844
(2-bromo-3-methylphenyl)-phenylmethanol
CID 107983305
2-[hydroxy(pyridin-4-yl)methyl]phenol
CID 14937590
2-[(1S)-1-amino-2-methylpropyl]-6-sulfanylphenol
CID 130870954
2-benzhydryl-6-methylphenol
CID 154120751
(2-tert-butylphenyl)-phenylmethanol
CID 19438357
2-methyl-6-(1-phenylpropyl)phenol
CID 123572881

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methyl]-6-sulfanylphenol?
The IUPAC name of 2-[hydroxy(phenyl)methyl]-6-sulfanylphenol (CID 12706367) is 2-[hydroxy(phenyl)methyl]-6-sulfanylphenol.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]-6-sulfanylphenol?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]-6-sulfanylphenol is Oc1c(S)cccc1C(O)c1ccccc1.
What is the InChIKey of 2-[hydroxy(phenyl)methyl]-6-sulfanylphenol?
The InChIKey is WEUXIVCRBCHNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c14-12(9-5-2-1-3-6-9)10-7-4-8-11(16)13(10)15/h1-8,12,14-16H.
What are the key properties of 2-[hydroxy(phenyl)methyl]-6-sulfanylphenol?
2-[hydroxy(phenyl)methyl]-6-sulfanylphenol has a molecular weight of 232.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]-6-sulfanylphenol is sourced from PubChem (CID 12706367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).