2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene

C30H23IO2S — CID 170035526

IUPAC2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene
SMILESCOc1cc2c(OCc3ccccc3)cc(I)c(-c3ccccc3)c2cc1Sc1ccccc1
InChIInChI=1S/C30H23IO2S/c1-32-28-17-24-25(18-29(28)34-23-15-9-4-10-16-23)30(22-13-7-3-8-14-22)26(31)19-27(24)33-20-21-11-5-2-6-12-21/h2-19H,20H2,1H3
InChIKeyFIRGPDCTUOQVAR-UHFFFAOYSA-N
MW574.48 g/mol
LogP8.85
Rot. Bonds7

About 2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene

2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene (PubChem CID 170035526) has the molecular formula C30H23IO2S and a molecular weight of 574.48 g/mol. Its IUPAC name is 2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene.

Molecular Properties

Compound Name2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene
PubChem CID170035526
Molecular FormulaC30H23IO2S
Molecular Weight574.48 g/mol
Exact Mass574.05
IUPAC Name2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene
SMILESCOc1cc2c(OCc3ccccc3)cc(I)c(-c3ccccc3)c2cc1Sc1ccccc1
InChIInChI=1S/C30H23IO2S/c1-32-28-17-24-25(18-29(28)34-23-15-9-4-10-16-23)30(22-13-7-3-8-14-22)26(31)19-27(24)33-20-21-11-5-2-6-12-21/h2-19H,20H2,1H3
InChIKeyFIRGPDCTUOQVAR-UHFFFAOYSA-N
XLogP8.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.48
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxy-2-methyl-1-phenyl-4-phenylmethoxynaphthalene
CID 170010936
1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
CID 11143485
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol
CID 102103900
1-(2,2-dimethoxyethyl)-2-iodo-5-methoxy-4-phenylmethoxybenzene
CID 15240745
1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene
CID 10515507
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357
4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene
CID 173306143
1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene
CID 90921547

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene?
The IUPAC name of 2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene (CID 170035526) is 2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene.
What is the SMILES notation for 2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene?
The canonical SMILES for 2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene is COc1cc2c(OCc3ccccc3)cc(I)c(-c3ccccc3)c2cc1Sc1ccccc1.
What is the InChIKey of 2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene?
The InChIKey is FIRGPDCTUOQVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23IO2S/c1-32-28-17-24-25(18-29(28)34-23-15-9-4-10-16-23)30(22-13-7-3-8-14-22)26(31)19-27(24)33-20-21-11-5-2-6-12-21/h2-19H,20H2,1H3.
What are the key properties of 2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene?
2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene has a molecular weight of 574.48 g/mol, XLogP of 8.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene is sourced from PubChem (CID 170035526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).