[4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol

C16H16F2O3S — CID 110004994

IUPAC[4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol
SMILESO=S(Cc1ccc(CO)cc1)Cc1cccc(OC(F)F)c1
InChIInChI=1S/C16H16F2O3S/c17-16(18)21-15-3-1-2-14(8-15)11-22(20)10-13-6-4-12(9-19)5-7-13/h1-8,16,19H,9-11H2
InChIKeyLLUKKZMMPRMRHB-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.23
Rot. Bonds7

About [4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol

[4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol (PubChem CID 110004994) has the molecular formula C16H16F2O3S and a molecular weight of 326.36 g/mol. Its IUPAC name is [4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol
PubChem CID110004994
Molecular FormulaC16H16F2O3S
Molecular Weight326.36 g/mol
Exact Mass326.08
IUPAC Name[4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol
SMILESO=S(Cc1ccc(CO)cc1)Cc1cccc(OC(F)F)c1
InChIInChI=1S/C16H16F2O3S/c17-16(18)21-15-3-1-2-14(8-15)11-22(20)10-13-6-4-12(9-19)5-7-13/h1-8,16,19H,9-11H2
InChIKeyLLUKKZMMPRMRHB-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(difluoromethoxy)phenyl]methanol
CID 2736994
[3-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]methanol
CID 111770249
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine
CID 97000324
2-[4-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 110879156
2-[3-(difluoromethoxy)phenyl]ethanamine
CID 45091388
2-[3-(difluoromethoxy)phenyl]acetonitrile
CID 2737017
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 83316158
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
1-[3-(difluoromethoxy)phenyl]-5,5,5-trifluoropentan-1-one
CID 115792223
2-[[3-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110930301
[3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol
CID 43714977

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol?
The IUPAC name of [4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol (CID 110004994) is [4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol.
What is the SMILES notation for [4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol?
The canonical SMILES for [4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol is O=S(Cc1ccc(CO)cc1)Cc1cccc(OC(F)F)c1.
What is the InChIKey of [4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol?
The InChIKey is LLUKKZMMPRMRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O3S/c17-16(18)21-15-3-1-2-14(8-15)11-22(20)10-13-6-4-12(9-19)5-7-13/h1-8,16,19H,9-11H2.
What are the key properties of [4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol?
[4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol has a molecular weight of 326.36 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol is sourced from PubChem (CID 110004994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).