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

C14H13FOS — CID 113411833

IUPAC2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol
SMILESCc1cc(F)ccc1CSc1ccccc1O
InChIInChI=1S/C14H13FOS/c1-10-8-12(15)7-6-11(10)9-17-14-5-3-2-4-13(14)16/h2-8,16H,9H2,1H3
InChIKeyQOCVFSSWXNDJSB-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.13
Rot. Bonds3

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

2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol (PubChem CID 113411833) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol
PubChem CID113411833
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol
SMILESCc1cc(F)ccc1CSc1ccccc1O
InChIInChI=1S/C14H13FOS/c1-10-8-12(15)7-6-11(10)9-17-14-5-3-2-4-13(14)16/h2-8,16H,9H2,1H3
InChIKeyQOCVFSSWXNDJSB-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-[(4-fluoro-2-methylphenyl)methylsulfanyl]aniline
CID 114346132
4-fluoro-2-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 64765962
2-bromo-4-fluoro-1-[(2-methylphenyl)sulfanylmethyl]benzene
CID 55191860
[5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 55173090
4-[(5-fluoro-2-methylphenyl)methylsulfanyl]naphthalen-1-ol
CID 105374587
2-[(5-fluoro-2-nitrophenyl)methylsulfanyl]phenol
CID 62028196
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 114347483
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 114347272
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
4-[(2,4-difluorophenyl)sulfanylmethyl]-3-methylbenzoic acid
CID 114485858
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 114348029

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol (CID 113411833) is 2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol is Cc1cc(F)ccc1CSc1ccccc1O.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol?
The InChIKey is QOCVFSSWXNDJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS/c1-10-8-12(15)7-6-11(10)9-17-14-5-3-2-4-13(14)16/h2-8,16H,9H2,1H3.
What are the key properties of 2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol?
2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol has a molecular weight of 248.32 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol is sourced from PubChem (CID 113411833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).