2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene

C22H18OS — CID 14148730

IUPAC2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene
SMILESO=S(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H18OS/c23-24(15-17-9-11-19-5-1-3-7-21(19)13-17)16-18-10-12-20-6-2-4-8-22(20)14-18/h1-14H,15-16H2
InChIKeyHEHMUBIHJMTFFD-UHFFFAOYSA-N
MW330.45 g/mol
LogP5.44
Rot. Bonds4

About 2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene

2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene (PubChem CID 14148730) has the molecular formula C22H18OS and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene
PubChem CID14148730
Molecular FormulaC22H18OS
Molecular Weight330.45 g/mol
Exact Mass330.11
IUPAC Name2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene
SMILESO=S(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H18OS/c23-24(15-17-9-11-19-5-1-3-7-21(19)13-17)16-18-10-12-20-6-2-4-8-22(20)14-18/h1-14H,15-16H2
InChIKeyHEHMUBIHJMTFFD-UHFFFAOYSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.45
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol
CID 142831227
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
naphthalen-2-ylmethylphosphonic acid
CID 3696145
2-(bromomethyl)naphthalene;hydrobromide
CID 158623865
2-benzylnaphthalene
CID 11948
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
ethane;2-ethylnaphthalene
CID 90684887
2-(4,4,4-trifluorobutyl)naphthalene
CID 91307122
CID 173442082
CID 173442082
sodium 2-naphthalen-2-ylacetate
CID 23688045
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
naphthalen-2-ylmethanesulfonyl fluoride
CID 165460618

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene?
The IUPAC name of 2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene (CID 14148730) is 2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene.
What is the SMILES notation for 2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene?
The canonical SMILES for 2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene is O=S(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene?
The InChIKey is HEHMUBIHJMTFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18OS/c23-24(15-17-9-11-19-5-1-3-7-21(19)13-17)16-18-10-12-20-6-2-4-8-22(20)14-18/h1-14H,15-16H2.
What are the key properties of 2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene?
2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene has a molecular weight of 330.45 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene is sourced from PubChem (CID 14148730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).