2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene

C24H22O3S — CID 10408078

IUPAC2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene
SMILESCOc1ccc2ccccc2c1-c1c(S(=O)(=O)C(C)C)ccc2ccccc12
InChIInChI=1S/C24H22O3S/c1-16(2)28(25,26)22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)27-3/h4-16H,1-3H3
InChIKeyKSDDGQPCOUJHGK-UHFFFAOYSA-N
MW390.50 g/mol
LogP5.85
Rot. Bonds4

About 2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene

2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene (PubChem CID 10408078) has the molecular formula C24H22O3S and a molecular weight of 390.50 g/mol. Its IUPAC name is 2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene
PubChem CID10408078
Molecular FormulaC24H22O3S
Molecular Weight390.50 g/mol
Exact Mass390.13
IUPAC Name2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene
SMILESCOc1ccc2ccccc2c1-c1c(S(=O)(=O)C(C)C)ccc2ccccc12
InChIInChI=1S/C24H22O3S/c1-16(2)28(25,26)22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)27-3/h4-16H,1-3H3
InChIKeyKSDDGQPCOUJHGK-UHFFFAOYSA-N
XLogP5.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
CID 129073654
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)
CID 10952722
7-(2-methoxynaphthalen-1-yl)benzo[a]anthracene
CID 71619168
2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol
CID 102189709
1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene
CID 169227684
[1-(2-sulfooxynaphthalen-1-yl)naphthalen-2-yl] hydrogen sulfate
CID 67157811
2-(2-methoxynaphthalen-1-yl)pyridine
CID 71446434
2-(2,6-dimethoxyphenyl)-3-naphthalen-1-ylnaphthalene-1,4-dione
CID 102377956
13-hydroxy-10,16-bis(2-methoxynaphthalen-1-yl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene 13-oxide
CID 101461300
[3-methoxy-4-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-trimethylsilane
CID 175847366
1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene
CID 165084325

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene?
The IUPAC name of 2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene (CID 10408078) is 2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene.
What is the SMILES notation for 2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene?
The canonical SMILES for 2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene is COc1ccc2ccccc2c1-c1c(S(=O)(=O)C(C)C)ccc2ccccc12.
What is the InChIKey of 2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene?
The InChIKey is KSDDGQPCOUJHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3S/c1-16(2)28(25,26)22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)27-3/h4-16H,1-3H3.
What are the key properties of 2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene?
2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene has a molecular weight of 390.50 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-propan-2-ylsulfonylnaphthalen-1-yl)naphthalene is sourced from PubChem (CID 10408078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).