4-[(2-methylphenyl)methylsulfanyl]phenol

C14H14OS — CID 60865685

IUPAC4-[(2-methylphenyl)methylsulfanyl]phenol
SMILESCc1ccccc1CSc1ccc(O)cc1
InChIInChI=1S/C14H14OS/c1-11-4-2-3-5-12(11)10-16-14-8-6-13(15)7-9-14/h2-9,15H,10H2,1H3
InChIKeyPNIUOJGUVTXVJX-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.99
Rot. Bonds3

About 4-[(2-methylphenyl)methylsulfanyl]phenol

4-[(2-methylphenyl)methylsulfanyl]phenol (PubChem CID 60865685) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[(2-methylphenyl)methylsulfanyl]phenol
PubChem CID60865685
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name4-[(2-methylphenyl)methylsulfanyl]phenol
SMILESCc1ccccc1CSc1ccc(O)cc1
InChIInChI=1S/C14H14OS/c1-11-4-2-3-5-12(11)10-16-14-8-6-13(15)7-9-14/h2-9,15H,10H2,1H3
InChIKeyPNIUOJGUVTXVJX-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methylphenyl)methylsulfanylmethyl]phenol
CID 18959071
4-[(2-methylphenyl)methylsulfanyl]benzenecarboximidamide
CID 55113355
cyclopropyl-[4-[(2-methylphenyl)methylsulfanyl]phenyl]methanone
CID 82165106
2-[(4-hydroxyphenyl)sulfanylmethyl]benzoic acid
CID 54911360
2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline
CID 62771925
2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline
CID 79141636
benzene-1,4-diol;bis(1,2-xylene)
CID 175366536
1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol
CID 174751633
2-methoxy-N-[[4-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 63809189
1-ethyl-2-methylbenzene;phenol
CID 161311856
5-[(2-methylphenyl)methylsulfanyl]pyridine-2-carboximidamide
CID 113321392
N-[[2-methyl-4-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 63809195

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)methylsulfanyl]phenol?
The IUPAC name of 4-[(2-methylphenyl)methylsulfanyl]phenol (CID 60865685) is 4-[(2-methylphenyl)methylsulfanyl]phenol.
What is the SMILES notation for 4-[(2-methylphenyl)methylsulfanyl]phenol?
The canonical SMILES for 4-[(2-methylphenyl)methylsulfanyl]phenol is Cc1ccccc1CSc1ccc(O)cc1.
What is the InChIKey of 4-[(2-methylphenyl)methylsulfanyl]phenol?
The InChIKey is PNIUOJGUVTXVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-11-4-2-3-5-12(11)10-16-14-8-6-13(15)7-9-14/h2-9,15H,10H2,1H3.
What are the key properties of 4-[(2-methylphenyl)methylsulfanyl]phenol?
4-[(2-methylphenyl)methylsulfanyl]phenol has a molecular weight of 230.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methylsulfanyl]phenol is sourced from PubChem (CID 60865685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).