[2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium

C28H27O3S+ — CID 132571487

IUPAC[2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium
SMILESCOc1cccc(Oc2cccc(OC)c2[S+](c2ccc(C)cc2)c2ccc(C)cc2)c1
InChIInChI=1S/C28H27O3S/c1-20-11-15-24(16-12-20)32(25-17-13-21(2)14-18-25)28-26(30-4)9-6-10-27(28)31-23-8-5-7-22(19-23)29-3/h5-19H,1-4H3/q+1
InChIKeyUSVLIFHVDPSHQY-UHFFFAOYSA-N
MW443.59 g/mol
LogP7.21
Rot. Bonds7

About [2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium

[2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium (PubChem CID 132571487) has the molecular formula C28H27O3S+ and a molecular weight of 443.59 g/mol. Its IUPAC name is [2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium.

Molecular Properties

Compound Name[2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium
PubChem CID132571487
Molecular FormulaC28H27O3S+
Molecular Weight443.59 g/mol
Exact Mass443.17
IUPAC Name[2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium
SMILESCOc1cccc(Oc2cccc(OC)c2[S+](c2ccc(C)cc2)c2ccc(C)cc2)c1
InChIInChI=1S/C28H27O3S/c1-20-11-15-24(16-12-20)32(25-17-13-21(2)14-18-25)28-26(30-4)9-6-10-27(28)31-23-8-5-7-22(19-23)29-3/h5-19H,1-4H3/q+1
InChIKeyUSVLIFHVDPSHQY-UHFFFAOYSA-N
XLogP7.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
1-methoxy-3-(3-methoxyphenoxy)-2-(2-methylphenyl)sulfanylbenzene
CID 175940504
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
2-(3-methoxyphenoxy)-N-methylaniline
CID 167220736
[4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 20682561
3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 23399554
bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium
CID 132571477
1-ethynyl-2-(3-methoxyphenoxy)benzene
CID 173156561

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium?
The IUPAC name of [2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium (CID 132571487) is [2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium.
What is the SMILES notation for [2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium?
The canonical SMILES for [2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium is COc1cccc(Oc2cccc(OC)c2[S+](c2ccc(C)cc2)c2ccc(C)cc2)c1.
What is the InChIKey of [2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium?
The InChIKey is USVLIFHVDPSHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27O3S/c1-20-11-15-24(16-12-20)32(25-17-13-21(2)14-18-25)28-26(30-4)9-6-10-27(28)31-23-8-5-7-22(19-23)29-3/h5-19H,1-4H3/q+1.
What are the key properties of [2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium?
[2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium has a molecular weight of 443.59 g/mol, XLogP of 7.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-6-(3-methoxyphenoxy)phenyl]-bis(4-methylphenyl)sulfanium is sourced from PubChem (CID 132571487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).