(2-fluoro-5-methylphenyl)methylsulfanylmethanol

C9H11FOS — CID 174380903

IUPAC(2-fluoro-5-methylphenyl)methylsulfanylmethanol
SMILESCc1ccc(F)c(CSCO)c1
InChIInChI=1S/C9H11FOS/c1-7-2-3-9(10)8(4-7)5-12-6-11/h2-4,11H,5-6H2,1H3
InChIKeyMQNJHEBVSNIYNS-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.32
Rot. Bonds3

About (2-fluoro-5-methylphenyl)methylsulfanylmethanol

(2-fluoro-5-methylphenyl)methylsulfanylmethanol (PubChem CID 174380903) has the molecular formula C9H11FOS and a molecular weight of 186.25 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)methylsulfanylmethanol.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)methylsulfanylmethanol
PubChem CID174380903
Molecular FormulaC9H11FOS
Molecular Weight186.25 g/mol
Exact Mass186.05
IUPAC Name(2-fluoro-5-methylphenyl)methylsulfanylmethanol
SMILESCc1ccc(F)c(CSCO)c1
InChIInChI=1S/C9H11FOS/c1-7-2-3-9(10)8(4-7)5-12-6-11/h2-4,11H,5-6H2,1H3
InChIKeyMQNJHEBVSNIYNS-UHFFFAOYSA-N
XLogP2.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774
1-(2-fluoro-5-methylphenyl)-2-methylpropan-2-ol
CID 142848449
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene
CID 126990340
3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid
CID 83402760
2-[(2,5-difluorophenyl)methylsulfanyl]ethanol
CID 61035614
3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol
CID 115632162
3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
O-[(2-fluoro-5-methylphenyl)methyl]hydroxylamine
CID 83808202
2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115880050
3-[(2,5-dimethylphenyl)methylsulfanyl]propan-1-amine
CID 66219052
2-(ethylsulfanylmethyl)-5-methylphenol
CID 14452460

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)methylsulfanylmethanol?
The IUPAC name of (2-fluoro-5-methylphenyl)methylsulfanylmethanol (CID 174380903) is (2-fluoro-5-methylphenyl)methylsulfanylmethanol.
What is the SMILES notation for (2-fluoro-5-methylphenyl)methylsulfanylmethanol?
The canonical SMILES for (2-fluoro-5-methylphenyl)methylsulfanylmethanol is Cc1ccc(F)c(CSCO)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)methylsulfanylmethanol?
The InChIKey is MQNJHEBVSNIYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FOS/c1-7-2-3-9(10)8(4-7)5-12-6-11/h2-4,11H,5-6H2,1H3.
What are the key properties of (2-fluoro-5-methylphenyl)methylsulfanylmethanol?
(2-fluoro-5-methylphenyl)methylsulfanylmethanol has a molecular weight of 186.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)methylsulfanylmethanol is sourced from PubChem (CID 174380903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).