7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol

C24H20O3S — CID 154631518

IUPAC7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol
SMILESCc1ccc(S(=O)(=O)c2cc(O)c3cc(C)ccc3c2-c2ccccc2)cc1
InChIInChI=1S/C24H20O3S/c1-16-8-11-19(12-9-16)28(26,27)23-15-22(25)21-14-17(2)10-13-20(21)24(23)18-6-4-3-5-7-18/h3-15,25H,1-2H3
InChIKeyDQEWZPHGMXKEHG-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.66
Rot. Bonds3

About 7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol

7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol (PubChem CID 154631518) has the molecular formula C24H20O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol.

Molecular Properties

Compound Name7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol
PubChem CID154631518
Molecular FormulaC24H20O3S
Molecular Weight388.49 g/mol
Exact Mass388.11
IUPAC Name7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol
SMILESCc1ccc(S(=O)(=O)c2cc(O)c3cc(C)ccc3c2-c2ccccc2)cc1
InChIInChI=1S/C24H20O3S/c1-16-8-11-19(12-9-16)28(26,27)23-15-22(25)21-14-17(2)10-13-20(21)24(23)18-6-4-3-5-7-18/h3-15,25H,1-2H3
InChIKeyDQEWZPHGMXKEHG-UHFFFAOYSA-N
XLogP5.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol?
The IUPAC name of 7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol (CID 154631518) is 7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol.
What is the SMILES notation for 7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol?
The canonical SMILES for 7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol is Cc1ccc(S(=O)(=O)c2cc(O)c3cc(C)ccc3c2-c2ccccc2)cc1.
What is the InChIKey of 7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol?
The InChIKey is DQEWZPHGMXKEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3S/c1-16-8-11-19(12-9-16)28(26,27)23-15-22(25)21-14-17(2)10-13-20(21)24(23)18-6-4-3-5-7-18/h3-15,25H,1-2H3.
What are the key properties of 7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol?
7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol has a molecular weight of 388.49 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol is sourced from PubChem (CID 154631518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).