7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one

C23H20O2S — CID 141228304

IUPAC7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2ccc(Sc3ccc(OCc4ccccc4)cc3)cc2C1
InChIInChI=1S/C23H20O2S/c24-20-8-6-18-7-11-23(15-19(18)14-20)26-22-12-9-21(10-13-22)25-16-17-4-2-1-3-5-17/h1-5,7,9-13,15H,6,8,14,16H2
InChIKeyBXWSVDZSUNGIHV-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.47
Rot. Bonds5

About 7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one

7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 141228304) has the molecular formula C23H20O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one
PubChem CID141228304
Molecular FormulaC23H20O2S
Molecular Weight360.48 g/mol
Exact Mass360.12
IUPAC Name7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2ccc(Sc3ccc(OCc4ccccc4)cc3)cc2C1
InChIInChI=1S/C23H20O2S/c24-20-8-6-18-7-11-23(15-19(18)14-20)26-22-12-9-21(10-13-22)25-16-17-4-2-1-3-5-17/h1-5,7,9-13,15H,6,8,14,16H2
InChIKeyBXWSVDZSUNGIHV-UHFFFAOYSA-N
XLogP5.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one
CID 118324757
7-(4-phenylmethoxythiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-one
CID 174612461
8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene;4-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 160808164
8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 58380051
2-[4-(3-phenylmethoxyphenyl)sulfanylphenyl]acetyl chloride
CID 87260314
1-[4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethanone
CID 58014066
1-(oxiran-2-yl)-7-phenylmethoxy-3,4-dihydroquinolin-2-one
CID 87497461
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine
CID 54075621
7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one
CID 155103539
6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 52952267
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one (CID 141228304) is 7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2ccc(Sc3ccc(OCc4ccccc4)cc3)cc2C1.
What is the InChIKey of 7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is BXWSVDZSUNGIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2S/c24-20-8-6-18-7-11-23(15-19(18)14-20)26-22-12-9-21(10-13-22)25-16-17-4-2-1-3-5-17/h1-5,7,9-13,15H,6,8,14,16H2.
What are the key properties of 7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one?
7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 360.48 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 141228304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).