1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol

C16H16ClFO2S — CID 66071784

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
SMILESCOc1ccc(Cl)cc1CC(O)CSc1ccc(F)cc1
InChIInChI=1S/C16H16ClFO2S/c1-20-16-7-2-12(17)8-11(16)9-14(19)10-21-15-5-3-13(18)4-6-15/h2-8,14,19H,9-10H2,1H3
InChIKeyRKYAQEWIXMAOGC-UHFFFAOYSA-N
MW326.82 g/mol
LogP4.18
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol

1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 66071784) has the molecular formula C16H16ClFO2S and a molecular weight of 326.82 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
PubChem CID66071784
Molecular FormulaC16H16ClFO2S
Molecular Weight326.82 g/mol
Exact Mass326.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
SMILESCOc1ccc(Cl)cc1CC(O)CSc1ccc(F)cc1
InChIInChI=1S/C16H16ClFO2S/c1-20-16-7-2-12(17)8-11(16)9-14(19)10-21-15-5-3-13(18)4-6-15/h2-8,14,19H,9-10H2,1H3
InChIKeyRKYAQEWIXMAOGC-UHFFFAOYSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-({[5-Chloro-2-(difluoromethoxy)phenyl]methyl}sulfanyl)ethan-1-ol
CID 2344506
4-((4-Chlorophenyl)thio)-5,8-difluorochroman-3-ol
CID 58445328
(2R,3R,4S,5S,6R)-2-[4-chloro-2-[(2,3,5,6-tetrafluorophenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol
CID 59771383
(2R,3R,4S,5S,6R)-2-[4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol
CID 59771402
(2R,3R,4S,5S,6R)-2-[4-chloro-2-[(2-fluorophenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol
CID 59771407
(2R,3R,4S,5S,6R)-2-[4-chloro-2-[(3-fluorophenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol
CID 59771408
(2R,3R,4S,5S,6R)-2-[4-chloro-2-[(2,4-difluorophenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol
CID 59771423
2'-(Benzyloxy)-5'-chloro-4-(ethanesulfonyl)-2-fluoro-1,1'-biphenyl
CID 67280332
(2S,3R,4S,5S,6S)-2-[4-chloro-2-[(3-fluorophenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol
CID 69201247
(2S,3R,4S,5S,6S)-2-[4-chloro-2-[(2,4-difluorophenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol
CID 69201871
(2S,3R,4S,5S,6S)-2-[4-chloro-2-[(2-fluorophenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol
CID 69202909
(2S,3R,4S,5S,6S)-2-[4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]phenoxy]-6-(hydroxymethyl)thiane-3,4,5-triol
CID 69203002

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol (CID 66071784) is 1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol is COc1ccc(Cl)cc1CC(O)CSc1ccc(F)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is RKYAQEWIXMAOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2S/c1-20-16-7-2-12(17)8-11(16)9-14(19)10-21-15-5-3-13(18)4-6-15/h2-8,14,19H,9-10H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 326.82 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66071784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).