4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol

C30H24O5S — CID 170775302

IUPAC4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol
SMILESCS(=O)(=O)c1ccc(-c2ccc3cc(OCc4ccccc4)ccc3c2Oc2ccc(O)cc2)cc1
InChIInChI=1S/C30H24O5S/c1-36(32,33)27-15-7-22(8-16-27)28-17-9-23-19-26(34-20-21-5-3-2-4-6-21)14-18-29(23)30(28)35-25-12-10-24(31)11-13-25/h2-19,31H,20H2,1H3
InChIKeyMFVXFKGSJNQOAL-UHFFFAOYSA-N
MW496.58 g/mol
LogP6.99
Rot. Bonds7

About 4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol

4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol (PubChem CID 170775302) has the molecular formula C30H24O5S and a molecular weight of 496.58 g/mol. Its IUPAC name is 4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol.

Molecular Properties

Compound Name4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol
PubChem CID170775302
Molecular FormulaC30H24O5S
Molecular Weight496.58 g/mol
Exact Mass496.13
IUPAC Name4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol
SMILESCS(=O)(=O)c1ccc(-c2ccc3cc(OCc4ccccc4)ccc3c2Oc2ccc(O)cc2)cc1
InChIInChI=1S/C30H24O5S/c1-36(32,33)27-15-7-22(8-16-27)28-17-9-23-19-26(34-20-21-5-3-2-4-6-21)14-18-29(23)30(28)35-25-12-10-24(31)11-13-25/h2-19,31H,20H2,1H3
InChIKeyMFVXFKGSJNQOAL-UHFFFAOYSA-N
XLogP6.99
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.58
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenoxy]ethanamine
CID 170775294
2-[2-[ethyl-[2-[4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenoxy]ethyl]amino]ethoxy]ethylcarbamic acid
CID 174218055
ethyl 2-[2-[(2R,5S)-2,5-dimethyl-4-[2-[4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperazin-1-yl]ethoxy]acetate
CID 170775309
tert-butyl 2-[5-[4-[4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenyl]piperazin-1-yl]pentoxy]acetate
CID 170775307
[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenyl] trifluoromethanesulfonate
CID 171446907
5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenoxy]-6-(4-methylsulfonylphenyl)naphthalen-2-ol
CID 122631776
3-[4-[ethyl-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]amino]butoxy]benzoic acid
CID 175472722
butanedioic acid;6-(4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 68516743
4-(4-methylsulfonylphenyl)-3-phenoxyphenol
CID 139699276
2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenoxy]butyl]piperazin-1-yl]isoindole-1,3-dione
CID 171446670
5-[4-[2-(azepin-1-yl)ethylamino]phenoxy]-6-(4-methylsulfonylphenyl)naphthalen-2-ol;dihydrochloride
CID 68521290
4-[2-(2,6-dihydroxypiperidin-3-yl)-1-hydroxy-1-[4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenyl]-3H-isoindol-5-yl]piperazine-1-carboxylic acid
CID 166124422

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol?
The IUPAC name of 4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol (CID 170775302) is 4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol.
What is the SMILES notation for 4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol?
The canonical SMILES for 4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol is CS(=O)(=O)c1ccc(-c2ccc3cc(OCc4ccccc4)ccc3c2Oc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol?
The InChIKey is MFVXFKGSJNQOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O5S/c1-36(32,33)27-15-7-22(8-16-27)28-17-9-23-19-26(34-20-21-5-3-2-4-6-21)14-18-29(23)30(28)35-25-12-10-24(31)11-13-25/h2-19,31H,20H2,1H3.
What are the key properties of 4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol?
4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol has a molecular weight of 496.58 g/mol, XLogP of 6.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol is sourced from PubChem (CID 170775302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).