[2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol

C16H15FO3S — CID 129078971

IUPAC[2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol
SMILESOCc1ccccc1Sc1c(F)cccc1C1OCCO1
InChIInChI=1S/C16H15FO3S/c17-13-6-3-5-12(16-19-8-9-20-16)15(13)21-14-7-2-1-4-11(14)10-18/h1-7,16,18H,8-10H2
InChIKeyNEFSNWNLPVHMLR-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.51
Rot. Bonds4

About [2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol

[2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol (PubChem CID 129078971) has the molecular formula C16H15FO3S and a molecular weight of 306.36 g/mol. Its IUPAC name is [2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol
PubChem CID129078971
Molecular FormulaC16H15FO3S
Molecular Weight306.36 g/mol
Exact Mass306.07
IUPAC Name[2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol
SMILESOCc1ccccc1Sc1c(F)cccc1C1OCCO1
InChIInChI=1S/C16H15FO3S/c17-13-6-3-5-12(16-19-8-9-20-16)15(13)21-14-7-2-1-4-11(14)10-18/h1-7,16,18H,8-10H2
InChIKeyNEFSNWNLPVHMLR-UHFFFAOYSA-N
XLogP3.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol
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1-(3,4-difluorophenyl)-N-[[2-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine
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1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine
CID 105090028
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[4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol
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Frequently Asked Questions

What is the IUPAC name of [2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol?
The IUPAC name of [2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol (CID 129078971) is [2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol.
What is the SMILES notation for [2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol?
The canonical SMILES for [2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol is OCc1ccccc1Sc1c(F)cccc1C1OCCO1.
What is the InChIKey of [2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol?
The InChIKey is NEFSNWNLPVHMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3S/c17-13-6-3-5-12(16-19-8-9-20-16)15(13)21-14-7-2-1-4-11(14)10-18/h1-7,16,18H,8-10H2.
What are the key properties of [2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol?
[2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol has a molecular weight of 306.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1,3-dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methanol is sourced from PubChem (CID 129078971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).