naphthalen-1-yl(phenyl)methanesulfinate

C17H13O2S- — CID 68567168

IUPACnaphthalen-1-yl(phenyl)methanesulfinate
SMILESO=S([O-])C(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H14O2S/c18-20(19)17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17H,(H,18,19)/p-1
InChIKeyLNDXGXJUZIKAMD-UHFFFAOYSA-M
MW281.36 g/mol
LogP3.81
Rot. Bonds3

About naphthalen-1-yl(phenyl)methanesulfinate

naphthalen-1-yl(phenyl)methanesulfinate (PubChem CID 68567168) has the molecular formula C17H13O2S- and a molecular weight of 281.36 g/mol. Its IUPAC name is naphthalen-1-yl(phenyl)methanesulfinate.

Molecular Properties

Compound Namenaphthalen-1-yl(phenyl)methanesulfinate
PubChem CID68567168
Molecular FormulaC17H13O2S-
Molecular Weight281.36 g/mol
Exact Mass281.06
IUPAC Namenaphthalen-1-yl(phenyl)methanesulfinate
SMILESO=S([O-])C(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H14O2S/c18-20(19)17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17H,(H,18,19)/p-1
InChIKeyLNDXGXJUZIKAMD-UHFFFAOYSA-M
XLogP3.81
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

CID 57276041
CID 57276041
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1R,2S)-1-naphthalen-1-yl-2-phenylpropan-1-ol
CID 11161331
1-[phenyl-(4-propan-2-ylphenyl)methyl]naphthalene
CID 140715231
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene
CID 91356771
[hydroxy(naphthalen-1-yl)methyl] hydrogen sulfite
CID 174247973
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
sodium dinaphthalen-1-ylmethanesulfonate
CID 23674026
[fluoro(phenanthren-1-yl)methyl] sulfite
CID 174847982
[[(R)-methylsulfinyl]-phenylmethyl]benzene
CID 124577636
(2R,3R)-3-azaniumyl-2-hydroxy-3-naphthalen-1-ylpropanoate
CID 40787446

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl(phenyl)methanesulfinate?
The IUPAC name of naphthalen-1-yl(phenyl)methanesulfinate (CID 68567168) is naphthalen-1-yl(phenyl)methanesulfinate.
What is the SMILES notation for naphthalen-1-yl(phenyl)methanesulfinate?
The canonical SMILES for naphthalen-1-yl(phenyl)methanesulfinate is O=S([O-])C(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl(phenyl)methanesulfinate?
The InChIKey is LNDXGXJUZIKAMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14O2S/c18-20(19)17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17H,(H,18,19)/p-1.
What are the key properties of naphthalen-1-yl(phenyl)methanesulfinate?
naphthalen-1-yl(phenyl)methanesulfinate has a molecular weight of 281.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl(phenyl)methanesulfinate is sourced from PubChem (CID 68567168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).