bis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol

C18H20O3S3 — CID 10619795

IUPACbis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)C2SCSCS2)cc1
InChIInChI=1S/C18H20O3S3/c1-20-15-7-3-13(4-8-15)18(19,17-23-11-22-12-24-17)14-5-9-16(21-2)10-6-14/h3-10,17,19H,11-12H2,1-2H3
InChIKeyZXXRQCRMILNGBZ-UHFFFAOYSA-N
MW380.56 g/mol
LogP4.39
Rot. Bonds5

About bis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol

bis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol (PubChem CID 10619795) has the molecular formula C18H20O3S3 and a molecular weight of 380.56 g/mol. Its IUPAC name is bis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol.

Molecular Properties

Compound Namebis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol
PubChem CID10619795
Molecular FormulaC18H20O3S3
Molecular Weight380.56 g/mol
Exact Mass380.06
IUPAC Namebis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)C2SCSCS2)cc1
InChIInChI=1S/C18H20O3S3/c1-20-15-7-3-13(4-8-15)18(19,17-23-11-22-12-24-17)14-5-9-16(21-2)10-6-14/h3-10,17,19H,11-12H2,1-2H3
InChIKeyZXXRQCRMILNGBZ-UHFFFAOYSA-N
XLogP4.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol?
The IUPAC name of bis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol (CID 10619795) is bis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol.
What is the SMILES notation for bis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol?
The canonical SMILES for bis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol is COc1ccc(C(O)(c2ccc(OC)cc2)C2SCSCS2)cc1.
What is the InChIKey of bis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol?
The InChIKey is ZXXRQCRMILNGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3S3/c1-20-15-7-3-13(4-8-15)18(19,17-23-11-22-12-24-17)14-5-9-16(21-2)10-6-14/h3-10,17,19H,11-12H2,1-2H3.
What are the key properties of bis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol?
bis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol has a molecular weight of 380.56 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxyphenyl)-(1,3,5-trithian-2-yl)methanol is sourced from PubChem (CID 10619795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).