2-(4-ethoxyphenyl)-6-phenylthiopyrylium

C19H17OS+ — CID 154276267

IUPAC2-(4-ethoxyphenyl)-6-phenylthiopyrylium
SMILESCCOc1ccc(-c2cccc(-c3ccccc3)[s+]2)cc1
InChIInChI=1S/C19H17OS/c1-2-20-17-13-11-16(12-14-17)19-10-6-9-18(21-19)15-7-4-3-5-8-15/h3-14H,2H2,1H3/q+1
InChIKeyVRFVPBLMHUFRLL-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.76
Rot. Bonds4

About 2-(4-ethoxyphenyl)-6-phenylthiopyrylium

2-(4-ethoxyphenyl)-6-phenylthiopyrylium (PubChem CID 154276267) has the molecular formula C19H17OS+ and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-6-phenylthiopyrylium.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-6-phenylthiopyrylium
PubChem CID154276267
Molecular FormulaC19H17OS+
Molecular Weight293.41 g/mol
Exact Mass293.10
IUPAC Name2-(4-ethoxyphenyl)-6-phenylthiopyrylium
SMILESCCOc1ccc(-c2cccc(-c3ccccc3)[s+]2)cc1
InChIInChI=1S/C19H17OS/c1-2-20-17-13-11-16(12-14-17)19-10-6-9-18(21-19)15-7-4-3-5-8-15/h3-14H,2H2,1H3/q+1
InChIKeyVRFVPBLMHUFRLL-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-4-phenylbenzene;phenol
CID 174652155
ethoxybenzene chloride
CID 21193593
ethoxybenzene tetrafluoroborate
CID 174807216
1-(ethoxymethoxy)-4-phenylbenzene
CID 146557132
ethoxybenzene;molecular iodine
CID 67763605
4-ethoxy-1-iodo-2-phenylbenzene
CID 156900261
ethoxybenzene;ethoxyethane
CID 67764259
2,5-bis(4-ethoxyphenyl)thiophene
CID 154402016
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
CID 19177827
1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene
CID 59789051
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-6-phenylthiopyrylium?
The IUPAC name of 2-(4-ethoxyphenyl)-6-phenylthiopyrylium (CID 154276267) is 2-(4-ethoxyphenyl)-6-phenylthiopyrylium.
What is the SMILES notation for 2-(4-ethoxyphenyl)-6-phenylthiopyrylium?
The canonical SMILES for 2-(4-ethoxyphenyl)-6-phenylthiopyrylium is CCOc1ccc(-c2cccc(-c3ccccc3)[s+]2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-6-phenylthiopyrylium?
The InChIKey is VRFVPBLMHUFRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17OS/c1-2-20-17-13-11-16(12-14-17)19-10-6-9-18(21-19)15-7-4-3-5-8-15/h3-14H,2H2,1H3/q+1.
What are the key properties of 2-(4-ethoxyphenyl)-6-phenylthiopyrylium?
2-(4-ethoxyphenyl)-6-phenylthiopyrylium has a molecular weight of 293.41 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-6-phenylthiopyrylium is sourced from PubChem (CID 154276267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).