2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol

C11H13FN4O2S — CID 104795012

IUPAC2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol
SMILESCOc1cccc(CSc2nnnn2CCO)c1F
InChIInChI=1S/C11H13FN4O2S/c1-18-9-4-2-3-8(10(9)12)7-19-11-13-14-15-16(11)5-6-17/h2-4,17H,5-7H2,1H3
InChIKeyBELLKERSAKTVHC-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.11
Rot. Bonds6

About 2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol

2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol (PubChem CID 104795012) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol
PubChem CID104795012
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol
SMILESCOc1cccc(CSc2nnnn2CCO)c1F
InChIInChI=1S/C11H13FN4O2S/c1-18-9-4-2-3-8(10(9)12)7-19-11-13-14-15-16(11)5-6-17/h2-4,17H,5-7H2,1H3
InChIKeyBELLKERSAKTVHC-UHFFFAOYSA-N
XLogP1.11
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 104795003
methyl 2-[2-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]phenyl]acetate
CID 115465794
2-[5-[(5-fluoro-2-methylphenyl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine
CID 105375397
1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone
CID 104794994
5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647181
2-[5-[(2-chloro-3-fluorophenyl)methylsulfanyl]tetrazol-1-yl]acetic acid
CID 112651716
2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 107306669
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 18140859
1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole
CID 26576878
4-(1-bromoethyl)-1-[(2-fluoro-3-methoxyphenyl)methyl]triazole
CID 113453856
1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole
CID 104794972
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol
CID 113453955

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol (CID 104795012) is 2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol is COc1cccc(CSc2nnnn2CCO)c1F.
What is the InChIKey of 2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol?
The InChIKey is BELLKERSAKTVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-18-9-4-2-3-8(10(9)12)7-19-11-13-14-15-16(11)5-6-17/h2-4,17H,5-7H2,1H3.
What are the key properties of 2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol?
2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol has a molecular weight of 284.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanol is sourced from PubChem (CID 104795012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).