ethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane

C18H18OS — CID 57322681

IUPACethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane
SMILESCCS(O)(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C18H18OS/c1-2-20(19,16-11-4-3-5-12-16)18-14-8-10-15-9-6-7-13-17(15)18/h3-14,19H,2H2,1H3
InChIKeyFLTVVEGSRXOIAL-UHFFFAOYSA-N
MW282.41 g/mol
LogP5.56
Rot. Bonds3

About ethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane

ethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane (PubChem CID 57322681) has the molecular formula C18H18OS and a molecular weight of 282.41 g/mol. Its IUPAC name is ethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane.

Molecular Properties

Compound Nameethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane
PubChem CID57322681
Molecular FormulaC18H18OS
Molecular Weight282.41 g/mol
Exact Mass282.11
IUPAC Nameethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane
SMILESCCS(O)(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C18H18OS/c1-2-20(19,16-11-4-3-5-12-16)18-14-8-10-15-9-6-7-13-17(15)18/h3-14,19H,2H2,1H3
InChIKeyFLTVVEGSRXOIAL-UHFFFAOYSA-N
XLogP5.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.41
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

naphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane
CID 69106567
naphthalene-1-sulfonic acid
CID 158712346
methanamine;naphthalene-1-sulfonic acid
CID 174421353
CID 87599032
CID 87599032
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
naphthalene-1-sulfonic acid;propan-2-one
CID 159625116
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
bis(2-methylprop-1-ene);naphthalene-1-sulfonic acid
CID 87267180
sodium;butane;naphthalene-1-sulfonic acid
CID 162256815
1-methylsulfonylnaphthalene
CID 11206535

Frequently Asked Questions

What is the IUPAC name of ethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane?
The IUPAC name of ethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane (CID 57322681) is ethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane.
What is the SMILES notation for ethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane?
The canonical SMILES for ethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane is CCS(O)(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of ethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane?
The InChIKey is FLTVVEGSRXOIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18OS/c1-2-20(19,16-11-4-3-5-12-16)18-14-8-10-15-9-6-7-13-17(15)18/h3-14,19H,2H2,1H3.
What are the key properties of ethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane?
ethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane has a molecular weight of 282.41 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-hydroxy-naphthalen-1-yl-phenyl-λ4-sulfane is sourced from PubChem (CID 57322681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).