4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione

C87H84N6O12S4 — CID 158103145

IUPAC4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione
SMILESC.Cc1cccc(CO)c1.Cc1cccc(COc2ccc(Sc3cnccc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3cnccc3C3OCCO3)cc2)c1.Cc1cccc(COc2ccc(Sc3cnccc3C=O)cc2)c1.Oc1ccc(Sc2cnccc2C2OCCO2)cc1
InChIInChI=1S/C22H19N3O3S.C22H21NO3S.C20H17NO2S.C14H13NO3S.C8H10O.CH4/c1-14-3-2-4-15(11-14)13-28-16-5-7-17(8-6-16)29-19-12-23-10-9-18(19)20-21(26)25-22(27)24-20;1-16-3-2-4-17(13-16)15-26-18-5-7-19(8-6-18)27-21-14-23-10-9-20(21)22-24-11-12-25-22;1-15-3-2-4-16(11-15)14-23-18-5-7-19(8-6-18)24-20-12-21-10-9-17(20)13-22;16-10-1-3-11(4-2-10)19-13-9-15-6-5-12(13)14-17-7-8-18-14;1-7-3-2-4-8(5-7)6-9;/h2-12,20H,13H2,1H3,(H2,24,25,26,27);2-10,13-14,22H,11-12,15H2,1H3;2-13H,14H2,1H3;1-6,9,14,16H,7-8H2;2-5,9H,6H2,1H3;1H4
InChIKeyFPMYPMJPEFEXOX-UHFFFAOYSA-N
MW1533.93 g/mol
LogP19.21
Rot. Bonds22

About 4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione

4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione (PubChem CID 158103145) has the molecular formula C87H84N6O12S4 and a molecular weight of 1533.93 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione
PubChem CID158103145
Molecular FormulaC87H84N6O12S4
Molecular Weight1533.93 g/mol
Exact Mass1532.50
IUPAC Name4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione
SMILESC.Cc1cccc(CO)c1.Cc1cccc(COc2ccc(Sc3cnccc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3cnccc3C3OCCO3)cc2)c1.Cc1cccc(COc2ccc(Sc3cnccc3C=O)cc2)c1.Oc1ccc(Sc2cnccc2C2OCCO2)cc1
InChIInChI=1S/C22H19N3O3S.C22H21NO3S.C20H17NO2S.C14H13NO3S.C8H10O.CH4/c1-14-3-2-4-15(11-14)13-28-16-5-7-17(8-6-16)29-19-12-23-10-9-18(19)20-21(26)25-22(27)24-20;1-16-3-2-4-17(13-16)15-26-18-5-7-19(8-6-18)27-21-14-23-10-9-20(21)22-24-11-12-25-22;1-15-3-2-4-16(11-15)14-23-18-5-7-19(8-6-18)24-20-12-21-10-9-17(20)13-22;16-10-1-3-11(4-2-10)19-13-9-15-6-5-12(13)14-17-7-8-18-14;1-7-3-2-4-8(5-7)6-9;/h2-12,20H,13H2,1H3,(H2,24,25,26,27);2-10,13-14,22H,11-12,15H2,1H3;2-13H,14H2,1H3;1-6,9,14,16H,7-8H2;2-5,9H,6H2,1H3;1H4
InChIKeyFPMYPMJPEFEXOX-UHFFFAOYSA-N
XLogP19.21
TPSA231.90 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001533.93
LogP ≤ 519.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione (CID 158103145) is 4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione is C.Cc1cccc(CO)c1.Cc1cccc(COc2ccc(Sc3cnccc3C3NC(=O)NC3=O)cc2)c1.Cc1cccc(COc2ccc(Sc3cnccc3C3OCCO3)cc2)c1.Cc1cccc(COc2ccc(Sc3cnccc3C=O)cc2)c1.Oc1ccc(Sc2cnccc2C2OCCO2)cc1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is FPMYPMJPEFEXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S.C22H21NO3S.C20H17NO2S.C14H13NO3S.C8H10O.CH4/c1-14-3-2-4-15(11-14)13-28-16-5-7-17(8-6-16)29-19-12-23-10-9-18(19)20-21(26)25-22(27)24-20;1-16-3-2-4-17(13-16)15-26-18-5-7-19(8-6-18)27-21-14-23-10-9-20(21)22-24-11-12-25-22;1-15-3-2-4-16(11-15)14-23-18-5-7-19(8-6-18)24-20-12-21-10-9-17(20)13-22;16-10-1-3-11(4-2-10)19-13-9-15-6-5-12(13)14-17-7-8-18-14;1-7-3-2-4-8(5-7)6-9;/h2-12,20H,13H2,1H3,(H2,24,25,26,27);2-10,13-14,22H,11-12,15H2,1H3;2-13H,14H2,1H3;1-6,9,14,16H,7-8H2;2-5,9H,6H2,1H3;1H4.
What are the key properties of 4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione?
4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 1533.93 g/mol, XLogP of 19.21, 22 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine;4-[[4-(1,3-dioxolan-2-yl)-3-pyridinyl]sulfanyl]phenol;methane;(3-methylphenyl)methanol;3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylpyridine-4-carbaldehyde;5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158103145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).