4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol

C15H15FO2S — CID 144861297

IUPAC4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol
SMILESCOc1cccc(F)c1COc1ccc(S)cc1C
InChIInChI=1S/C15H15FO2S/c1-10-8-11(19)6-7-14(10)18-9-12-13(16)4-3-5-15(12)17-2/h3-8,19H,9H2,1-2H3
InChIKeyMSQBTQKKQVQNHG-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.01
Rot. Bonds4

About 4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol

4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol (PubChem CID 144861297) has the molecular formula C15H15FO2S and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol.

Molecular Properties

Compound Name4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol
PubChem CID144861297
Molecular FormulaC15H15FO2S
Molecular Weight278.35 g/mol
Exact Mass278.08
IUPAC Name4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol
SMILESCOc1cccc(F)c1COc1ccc(S)cc1C
InChIInChI=1S/C15H15FO2S/c1-10-8-11(19)6-7-14(10)18-9-12-13(16)4-3-5-15(12)17-2/h3-8,19H,9H2,1-2H3
InChIKeyMSQBTQKKQVQNHG-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 114930150
[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenoxy]-methoxymethanethione
CID 122646268
2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline
CID 59309657
4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol
CID 129110059
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid
CID 107673935
[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl] methylsulfanylformate
CID 122646159
[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl] propanoate
CID 122645816
1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate
CID 144861284
[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate
CID 122646293
O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]carbamothioate
CID 126588100
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol
CID 129110158

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol?
The IUPAC name of 4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol (CID 144861297) is 4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol.
What is the SMILES notation for 4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol?
The canonical SMILES for 4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol is COc1cccc(F)c1COc1ccc(S)cc1C.
What is the InChIKey of 4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol?
The InChIKey is MSQBTQKKQVQNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2S/c1-10-8-11(19)6-7-14(10)18-9-12-13(16)4-3-5-15(12)17-2/h3-8,19H,9H2,1-2H3.
What are the key properties of 4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol?
4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol has a molecular weight of 278.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-6-methoxyphenyl)methoxy]-3-methylbenzenethiol is sourced from PubChem (CID 144861297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).