2-(6-methoxynaphthalen-2-yl)thiochromen-4-one

C20H14O2S — CID 44606663

IUPAC2-(6-methoxynaphthalen-2-yl)thiochromen-4-one
SMILESCOc1ccc2cc(-c3cc(=O)c4ccccc4s3)ccc2c1
InChIInChI=1S/C20H14O2S/c1-22-16-9-8-13-10-15(7-6-14(13)11-16)20-12-18(21)17-4-2-3-5-19(17)23-20/h2-12H,1H3
InChIKeyXHSUWVWHMSTIDU-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.09
Rot. Bonds2

About 2-(6-methoxynaphthalen-2-yl)thiochromen-4-one

2-(6-methoxynaphthalen-2-yl)thiochromen-4-one (PubChem CID 44606663) has the molecular formula C20H14O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)thiochromen-4-one.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)thiochromen-4-one
PubChem CID44606663
Molecular FormulaC20H14O2S
Molecular Weight318.40 g/mol
Exact Mass318.07
IUPAC Name2-(6-methoxynaphthalen-2-yl)thiochromen-4-one
SMILESCOc1ccc2cc(-c3cc(=O)c4ccccc4s3)ccc2c1
InChIInChI=1S/C20H14O2S/c1-22-16-9-8-13-10-15(7-6-14(13)11-16)20-12-18(21)17-4-2-3-5-19(17)23-20/h2-12H,1H3
InChIKeyXHSUWVWHMSTIDU-UHFFFAOYSA-N
XLogP5.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 77267
1-(6-Methoxy-2-naphthalenyl)-1-propanone
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CID 638391
2-(4-methoxyphenyl)-4H-thiochromen-4-one
CID 2324877
2-Methoxythioxanthone
CID 617984
9-(4-Methoxyphenyl)Phenalen-1-One
CID 2754648
2-Acetyl-6-methoxynaphthalene
CID 77506
3-(4-Methoxyphenyl)-1-(2-naphthyl)prop-2-en-1-one
CID 5378298
1,3-Diarylprop-2-yn-1-one, 17c
CID 11523431
Mls002703412
CID 263259
2-Hydroxy-9-(4-methoxyphenyl)phenalen-1-one
CID 46906619
4H-1-Benzothiopyran-4-one, 6-methoxy-2-phenyl-
CID 100772

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)thiochromen-4-one?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)thiochromen-4-one (CID 44606663) is 2-(6-methoxynaphthalen-2-yl)thiochromen-4-one.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)thiochromen-4-one?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)thiochromen-4-one is COc1ccc2cc(-c3cc(=O)c4ccccc4s3)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)thiochromen-4-one?
The InChIKey is XHSUWVWHMSTIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2S/c1-22-16-9-8-13-10-15(7-6-14(13)11-16)20-12-18(21)17-4-2-3-5-19(17)23-20/h2-12H,1H3.
What are the key properties of 2-(6-methoxynaphthalen-2-yl)thiochromen-4-one?
2-(6-methoxynaphthalen-2-yl)thiochromen-4-one has a molecular weight of 318.40 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)thiochromen-4-one is sourced from PubChem (CID 44606663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).