1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol

C18H19FN4O2S — CID 17414605

IUPAC1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol
SMILESCc1cccc(-n2nnnc2SCC(O)COCc2ccccc2F)c1
InChIInChI=1S/C18H19FN4O2S/c1-13-5-4-7-15(9-13)23-18(20-21-22-23)26-12-16(24)11-25-10-14-6-2-3-8-17(14)19/h2-9,16,24H,10-12H2,1H3
InChIKeyBZXUMFXSKIQJIY-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.78
Rot. Bonds8

About 1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol

1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol (PubChem CID 17414605) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol
PubChem CID17414605
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol
SMILESCc1cccc(-n2nnnc2SCC(O)COCc2ccccc2F)c1
InChIInChI=1S/C18H19FN4O2S/c1-13-5-4-7-15(9-13)23-18(20-21-22-23)26-12-16(24)11-25-10-14-6-2-3-8-17(14)19/h2-9,16,24H,10-12H2,1H3
InChIKeyBZXUMFXSKIQJIY-UHFFFAOYSA-N
XLogP2.78
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol
CID 51057207
(2S)-1-(3-bromophenoxy)-3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol
CID 26009335
1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
CID 15140296
1-[(2-fluorophenyl)methoxy]-3-[4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]anilino]propan-2-ol
CID 167861495
4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol
CID 60670840
1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 71938129
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]morpholine
CID 100818649
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 21178908
(2S)-1-(4-fluoroanilino)-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol
CID 92969603
1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
CID 16625171
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 42067738

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol (CID 17414605) is 1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol is Cc1cccc(-n2nnnc2SCC(O)COCc2ccccc2F)c1.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol?
The InChIKey is BZXUMFXSKIQJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-13-5-4-7-15(9-13)23-18(20-21-22-23)26-12-16(24)11-25-10-14-6-2-3-8-17(14)19/h2-9,16,24H,10-12H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol?
1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol has a molecular weight of 374.44 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol is sourced from PubChem (CID 17414605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).