5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one

C20H14O2S2 — CID 25213531

IUPAC5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one
SMILESCOc1ccc(-c2ssc(=O)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C20H14O2S2/c1-22-15-11-9-14(10-12-15)19-18(20(21)24-23-19)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3
InChIKeyBXSIDQPCIHSZNY-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.67
Rot. Bonds3

About 5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one

5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one (PubChem CID 25213531) has the molecular formula C20H14O2S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one
PubChem CID25213531
Molecular FormulaC20H14O2S2
Molecular Weight350.46 g/mol
Exact Mass350.04
IUPAC Name5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one
SMILESCOc1ccc(-c2ssc(=O)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C20H14O2S2/c1-22-15-11-9-14(10-12-15)19-18(20(21)24-23-19)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3
InChIKeyBXSIDQPCIHSZNY-UHFFFAOYSA-N
XLogP5.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1-naphthalen-1-ylnaphthalene
CID 10737250
1-(2,4,6-trimethoxyphenyl)naphthalene
CID 71363627
1,3-bis(4-methoxyphenyl)-2-benzothiophene
CID 14668872
1-(4-methoxyphenyl)-3,6,8-tris(4-naphthalen-1-ylphenyl)pyrene
CID 59391072
2-(4-methoxyphenyl)-9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenylanthracene
CID 59002248
9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene
CID 59002245
9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene
CID 88542893
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
CID 11523963
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
CID 71608240

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one?
The IUPAC name of 5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one (CID 25213531) is 5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one?
The canonical SMILES for 5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one is COc1ccc(-c2ssc(=O)c2-c2cccc3ccccc23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one?
The InChIKey is BXSIDQPCIHSZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2S2/c1-22-15-11-9-14(10-12-15)19-18(20(21)24-23-19)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one?
5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one has a molecular weight of 350.46 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one is sourced from PubChem (CID 25213531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).