naphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone

C20H18OS — CID 11197546

IUPACnaphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone
SMILESCC(C)Sc1ccc(C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H18OS/c1-14(2)22-17-12-10-16(11-13-17)20(21)19-9-5-7-15-6-3-4-8-18(15)19/h3-14H,1-2H3
InChIKeyRJSOOZQJGOEUOU-UHFFFAOYSA-N
MW306.43 g/mol
LogP5.57
Rot. Bonds4

About naphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone

naphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone (PubChem CID 11197546) has the molecular formula C20H18OS and a molecular weight of 306.43 g/mol. Its IUPAC name is naphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone
PubChem CID11197546
Molecular FormulaC20H18OS
Molecular Weight306.43 g/mol
Exact Mass306.11
IUPAC Namenaphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone
SMILESCC(C)Sc1ccc(C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H18OS/c1-14(2)22-17-12-10-16(11-13-17)20(21)19-9-5-7-15-6-3-4-8-18(15)19/h3-14H,1-2H3
InChIKeyRJSOOZQJGOEUOU-UHFFFAOYSA-N
XLogP5.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze naphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(4-propan-2-ylsulfanylphenyl)methanone
CID 134098559
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
methane;naphthalen-1-yl(phenyl)methanone;sulfuric acid
CID 70453659
dinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine
CID 159323088
methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone
CID 174806443
[3-[3,5-bis(naphthalene-1-carbonyl)benzoyl]-5-(naphthalene-1-carbonyl)phenyl]-naphthalen-1-ylmethanone;ethane;methanethiol;propane
CID 143925290
isoquinolin-8-yl-(4-methylsulfanylphenyl)methanone
CID 103134158
isoquinolin-4-yl-(4-methylsulfanylphenyl)methanone
CID 114971965
(4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
CID 114639812
3-(naphthalene-1-carbonyl)benzoate
CID 6947576
(6-ethylnaphthalen-1-yl)-phenylmethanone
CID 67944513
1-(4-naphthalen-1-ylsulfanylphenyl)ethanone
CID 53343510

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone?
The IUPAC name of naphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone (CID 11197546) is naphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone.
What is the SMILES notation for naphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone?
The canonical SMILES for naphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone is CC(C)Sc1ccc(C(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of naphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone?
The InChIKey is RJSOOZQJGOEUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18OS/c1-14(2)22-17-12-10-16(11-13-17)20(21)19-9-5-7-15-6-3-4-8-18(15)19/h3-14H,1-2H3.
What are the key properties of naphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone?
naphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone has a molecular weight of 306.43 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone is sourced from PubChem (CID 11197546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).