2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one

C25H32O7S — CID 19823449

IUPAC2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one
SMILESCCCOc1c(OC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1SOC
InChIInChI=1S/C25H32O7S/c1-7-10-32-25-21(29-4)13-16(14-22(25)33-31-6)18-9-8-17(23(18)26)15-11-19(27-2)24(30-5)20(12-15)28-3/h11-14,17-18H,7-10H2,1-6H3
InChIKeyCLBUYJGTAFWOGW-UHFFFAOYSA-N
MW476.59 g/mol
LogP5.39
Rot. Bonds11

About 2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one

2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one (PubChem CID 19823449) has the molecular formula C25H32O7S and a molecular weight of 476.59 g/mol. Its IUPAC name is 2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one
PubChem CID19823449
Molecular FormulaC25H32O7S
Molecular Weight476.59 g/mol
Exact Mass476.19
IUPAC Name2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one
SMILESCCCOc1c(OC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1SOC
InChIInChI=1S/C25H32O7S/c1-7-10-32-25-21(29-4)13-16(14-22(25)33-31-6)18-9-8-17(23(18)26)15-11-19(27-2)24(30-5)20(12-15)28-3/h11-14,17-18H,7-10H2,1-6H3
InChIKeyCLBUYJGTAFWOGW-UHFFFAOYSA-N
XLogP5.39
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.59
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one
CID 15044979
(1S,2S,5S)-2-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-ol
CID 67914080
1,2,3-trimethoxy-5-[(1R,2S,3R)-2-methoxy-3-(3-methoxy-5-methylsulfinyl-4-propoxyphenyl)cyclopentyl]benzene
CID 67914251
(2R,5S)-2-(3-methoxy-5-methylsulfonyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
CID 14176325
1,2,3-trimethoxy-5-[(1R,2S,3S)-2-methoxy-3-(3-methoxy-5-methylsulfinyl-4-propoxyphenyl)cyclopentyl]benzene
CID 67914242
(2S,5S)-2-(3-methoxy-5-nitro-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
CID 15390178
1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene
CID 57191517
1-[3-methylsulfonyl-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanamine
CID 139747584
N-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]acetamide
CID 54004891
(2S)-2-(3-bromo-5-methoxy-4-propoxyphenyl)-1-methylimidazolidin-4-one
CID 97313103
N-hydroxy-N-[3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]prop-1-ynyl]butanamide
CID 19921609
1-[3-methylsulfonyl-2-propoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]propan-2-amine
CID 58753101

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one?
The IUPAC name of 2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one (CID 19823449) is 2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one.
What is the SMILES notation for 2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one?
The canonical SMILES for 2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one is CCCOc1c(OC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1SOC.
What is the InChIKey of 2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one?
The InChIKey is CLBUYJGTAFWOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O7S/c1-7-10-32-25-21(29-4)13-16(14-22(25)33-31-6)18-9-8-17(23(18)26)15-11-19(27-2)24(30-5)20(12-15)28-3/h11-14,17-18H,7-10H2,1-6H3.
What are the key properties of 2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one?
2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one has a molecular weight of 476.59 g/mol, XLogP of 5.39, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one is sourced from PubChem (CID 19823449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).