4-[(2-methylphenyl)methylsulfanylmethyl]phenol

C15H16OS — CID 18959071

IUPAC4-[(2-methylphenyl)methylsulfanylmethyl]phenol
SMILESCc1ccccc1CSCc1ccc(O)cc1
InChIInChI=1S/C15H16OS/c1-12-4-2-3-5-14(12)11-17-10-13-6-8-15(16)9-7-13/h2-9,16H,10-11H2,1H3
InChIKeySTCQADFDVULNEN-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.13
Rot. Bonds4

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

4-[(2-methylphenyl)methylsulfanylmethyl]phenol (PubChem CID 18959071) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methylsulfanylmethyl]phenol.

Molecular Properties

Compound Name4-[(2-methylphenyl)methylsulfanylmethyl]phenol
PubChem CID18959071
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name4-[(2-methylphenyl)methylsulfanylmethyl]phenol
SMILESCc1ccccc1CSCc1ccc(O)cc1
InChIInChI=1S/C15H16OS/c1-12-4-2-3-5-14(12)11-17-10-13-6-8-15(16)9-7-13/h2-9,16H,10-11H2,1H3
InChIKeySTCQADFDVULNEN-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 55112779
4-[(2-methylphenyl)methylsulfanyl]phenol
CID 60865685
4-[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]but-3-yn-1-ol
CID 62769472
2-[(2-methylphenyl)methylsulfanylmethyl]aniline
CID 62055179
4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 39247073
2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene
CID 55192429
benzene-1,4-diol;bis(1,2-xylene)
CID 175366536
2-[(4-hydroxyphenyl)methyl]-6-methylphenol
CID 91146240
1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol
CID 174751633
5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63580707
1-ethyl-2-methylbenzene;phenol
CID 161311856
2-[(2-methylphenyl)methylsulfanylmethyl]furan
CID 78761613

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)methylsulfanylmethyl]phenol?
The IUPAC name of 4-[(2-methylphenyl)methylsulfanylmethyl]phenol (CID 18959071) is 4-[(2-methylphenyl)methylsulfanylmethyl]phenol.
What is the SMILES notation for 4-[(2-methylphenyl)methylsulfanylmethyl]phenol?
The canonical SMILES for 4-[(2-methylphenyl)methylsulfanylmethyl]phenol is Cc1ccccc1CSCc1ccc(O)cc1.
What is the InChIKey of 4-[(2-methylphenyl)methylsulfanylmethyl]phenol?
The InChIKey is STCQADFDVULNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-12-4-2-3-5-14(12)11-17-10-13-6-8-15(16)9-7-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 4-[(2-methylphenyl)methylsulfanylmethyl]phenol?
4-[(2-methylphenyl)methylsulfanylmethyl]phenol has a molecular weight of 244.36 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methylsulfanylmethyl]phenol is sourced from PubChem (CID 18959071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).