1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene

C26H36O6S — CID 57191517

IUPAC1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene
SMILESCCCOc1c(OC)cc(C2(c3cc(OC)c(OC)c(OC)c3)CCCC2OC)cc1SC
InChIInChI=1S/C26H36O6S/c1-8-12-32-25-21(29-4)15-18(16-22(25)33-7)26(11-9-10-23(26)30-5)17-13-19(27-2)24(31-6)20(14-17)28-3/h13-16,23H,8-12H2,1-7H3
InChIKeyXGLVUUNYBKJNSF-UHFFFAOYSA-N
MW476.64 g/mol
LogP5.72
Rot. Bonds11

About 1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene

1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene (PubChem CID 57191517) has the molecular formula C26H36O6S and a molecular weight of 476.64 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene
PubChem CID57191517
Molecular FormulaC26H36O6S
Molecular Weight476.64 g/mol
Exact Mass476.22
IUPAC Name1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene
SMILESCCCOc1c(OC)cc(C2(c3cc(OC)c(OC)c(OC)c3)CCCC2OC)cc1SC
InChIInChI=1S/C26H36O6S/c1-8-12-32-25-21(29-4)15-18(16-22(25)33-7)26(11-9-10-23(26)30-5)17-13-19(27-2)24(31-6)20(14-17)28-3/h13-16,23H,8-12H2,1-7H3
InChIKeyXGLVUUNYBKJNSF-UHFFFAOYSA-N
XLogP5.72
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.64
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene with MolForge

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Related Compounds

(1S,2S,5S)-2-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-ol
CID 67914080
2-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one
CID 15044979
(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol
CID 15044964
1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene
CID 57050314
2-(3-methoxy-5-methoxysulfanyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)cyclopentan-1-one
CID 19823449
1,2,3-trimethoxy-5-[(1R,2S,3R)-2-methoxy-3-(3-methoxy-5-methylsulfinyl-4-propoxyphenyl)cyclopentyl]benzene
CID 67914251
1,2,3-trimethoxy-5-[(1R,2S,3S)-2-methoxy-3-(3-methoxy-5-methylsulfinyl-4-propoxyphenyl)cyclopentyl]benzene
CID 67914242
(2R,5S)-2-(3-methoxy-5-methylsulfonyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
CID 14176325
trans-(1S,2R)-2-methyl-1-(3,4,5-trimethoxyphenyl)cyclohexan-1-ol
CID 826143
5-chloro-3-methoxy-2-propoxybenzenethiol
CID 91874262
(2S,5S)-2-(3-methoxy-5-nitro-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
CID 15390178
1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine
CID 117432494

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene (CID 57191517) is 1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene is CCCOc1c(OC)cc(C2(c3cc(OC)c(OC)c(OC)c3)CCCC2OC)cc1SC.
What is the InChIKey of 1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene?
The InChIKey is XGLVUUNYBKJNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O6S/c1-8-12-32-25-21(29-4)15-18(16-22(25)33-7)26(11-9-10-23(26)30-5)17-13-19(27-2)24(31-6)20(14-17)28-3/h13-16,23H,8-12H2,1-7H3.
What are the key properties of 1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene?
1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene has a molecular weight of 476.64 g/mol, XLogP of 5.72, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene is sourced from PubChem (CID 57191517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).