[2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol

C18H16O2S — CID 15312401

IUPAC[2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol
SMILESO=S(Cc1cccc2ccccc12)c1ccccc1CO
InChIInChI=1S/C18H16O2S/c19-12-15-7-2-4-11-18(15)21(20)13-16-9-5-8-14-6-1-3-10-17(14)16/h1-11,19H,12-13H2
InChIKeyFXEKTSMYLNMBKW-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.64
Rot. Bonds4

About [2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol

[2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol (PubChem CID 15312401) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is [2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol
PubChem CID15312401
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name[2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol
SMILESO=S(Cc1cccc2ccccc12)c1ccccc1CO
InChIInChI=1S/C18H16O2S/c19-12-15-7-2-4-11-18(15)21(20)13-16-9-5-8-14-6-1-3-10-17(14)16/h1-11,19H,12-13H2
InChIKeyFXEKTSMYLNMBKW-UHFFFAOYSA-N
XLogP3.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol
CID 15312400
3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol
CID 123107319
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
8-[(S)-[2-(hydroxymethyl)phenyl]sulfinyl]naphthalene-1-carboxylate
CID 18389113
[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol
CID 101480064
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
benzo[a]anthracen-8-ylmethanol
CID 25090609
2-naphthalen-1-ylsulfinylacetic acid
CID 121009246
1-hydroxy-3-(naphthalen-1-ylmethyl)-2-sulfonylpyridine
CID 90729789
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
2-naphthalen-1-ylacetaldehyde
CID 12570786
azane;1-ethylnaphthalene
CID 19048185

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol?
The IUPAC name of [2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol (CID 15312401) is [2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol.
What is the SMILES notation for [2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol?
The canonical SMILES for [2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol is O=S(Cc1cccc2ccccc12)c1ccccc1CO.
What is the InChIKey of [2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol?
The InChIKey is FXEKTSMYLNMBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c19-12-15-7-2-4-11-18(15)21(20)13-16-9-5-8-14-6-1-3-10-17(14)16/h1-11,19H,12-13H2.
What are the key properties of [2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol?
[2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol has a molecular weight of 296.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol is sourced from PubChem (CID 15312401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).