cyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate

C22H20O4S — CID 56607814

IUPACcyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate
SMILESO=C(Oc1c(-c2ccccc2)sc(-c2ccccc2)c1O)OC1CCCC1
InChIInChI=1S/C22H20O4S/c23-18-19(26-22(24)25-17-13-7-8-14-17)21(16-11-5-2-6-12-16)27-20(18)15-9-3-1-4-10-15/h1-6,9-12,17,23H,7-8,13-14H2
InChIKeyRAGVELZMLIULFI-UHFFFAOYSA-N
MW380.46 g/mol
LogP6.25
Rot. Bonds4

About cyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate

cyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate (PubChem CID 56607814) has the molecular formula C22H20O4S and a molecular weight of 380.46 g/mol. Its IUPAC name is cyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate.

Molecular Properties

Compound Namecyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate
PubChem CID56607814
Molecular FormulaC22H20O4S
Molecular Weight380.46 g/mol
Exact Mass380.11
IUPAC Namecyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate
SMILESO=C(Oc1c(-c2ccccc2)sc(-c2ccccc2)c1O)OC1CCCC1
InChIInChI=1S/C22H20O4S/c23-18-19(26-22(24)25-17-13-7-8-14-17)21(16-11-5-2-6-12-16)27-20(18)15-9-3-1-4-10-15/h1-6,9-12,17,23H,7-8,13-14H2
InChIKeyRAGVELZMLIULFI-UHFFFAOYSA-N
XLogP6.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.46
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl (2-phenylphenyl) carbonate
CID 121311469
cyclohexyl (4-cyclohexyloxycarbonyloxy-2,3-diethoxynaphthalen-1-yl) carbonate
CID 19886830
cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 60599245
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
carbonic acid;2,3,4,5-tetraphenylthiophene
CID 23188696
cyclohexyl 3-hydroxythieno[2,3-b]quinoline-2-carboxylate
CID 67872868
cyclohexyl (4-cyclohexyloxycarbonyloxy-2-ethoxynaphthalen-1-yl) carbonate
CID 19886916
cyclopentyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
CID 132551637
dicyclononyl carbonate
CID 139618210
cyclohexyl 2-(4-phenylphenoxy)propanoate
CID 23961617
cyclohexyl 5-hydroxy-2-phenoxythieno[2,3-d]pyrimidine-6-carboxylate
CID 67873422
cyclohexyl (phenyldisulfanyl)formate
CID 88806895

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate?
The IUPAC name of cyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate (CID 56607814) is cyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate.
What is the SMILES notation for cyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate?
The canonical SMILES for cyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate is O=C(Oc1c(-c2ccccc2)sc(-c2ccccc2)c1O)OC1CCCC1.
What is the InChIKey of cyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate?
The InChIKey is RAGVELZMLIULFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4S/c23-18-19(26-22(24)25-17-13-7-8-14-17)21(16-11-5-2-6-12-16)27-20(18)15-9-3-1-4-10-15/h1-6,9-12,17,23H,7-8,13-14H2.
What are the key properties of cyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate?
cyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate has a molecular weight of 380.46 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (4-hydroxy-2,5-diphenylthiophen-3-yl) carbonate is sourced from PubChem (CID 56607814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).