1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene

C26H36O8S — CID 57050314

IUPAC1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene
SMILESCCCOc1c(OC)cc(C2CCCC2(OC)c2cc(OC)c(OC)c(OC)c2)cc1S(C)(=O)=O
InChIInChI=1S/C26H36O8S/c1-8-12-34-25-20(29-2)13-17(14-23(25)35(7,27)28)19-10-9-11-26(19,33-6)18-15-21(30-3)24(32-5)22(16-18)31-4/h13-16,19H,8-12H2,1-7H3
InChIKeyMZUZHSIYVNJLPA-UHFFFAOYSA-N
MW508.63 g/mol
LogP4.72
Rot. Bonds11

About 1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene

1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene (PubChem CID 57050314) has the molecular formula C26H36O8S and a molecular weight of 508.63 g/mol. Its IUPAC name is 1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene.

Molecular Properties

Compound Name1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene
PubChem CID57050314
Molecular FormulaC26H36O8S
Molecular Weight508.63 g/mol
Exact Mass508.21
IUPAC Name1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene
SMILESCCCOc1c(OC)cc(C2CCCC2(OC)c2cc(OC)c(OC)c(OC)c2)cc1S(C)(=O)=O
InChIInChI=1S/C26H36O8S/c1-8-12-34-25-20(29-2)13-17(14-23(25)35(7,27)28)19-10-9-11-26(19,33-6)18-15-21(30-3)24(32-5)22(16-18)31-4/h13-16,19H,8-12H2,1-7H3
InChIKeyMZUZHSIYVNJLPA-UHFFFAOYSA-N
XLogP4.72
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.63
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene 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

(2R,5S)-2-(3-methoxy-5-methylsulfonyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
CID 14176325
1-[3-methylsulfonyl-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanamine
CID 139747584
1-[3-methylsulfonyl-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]propan-2-one
CID 139747589
1-[3-methylsulfonyl-2-propoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]propan-2-amine
CID 58753101
2-[2-methoxy-6-methylsulfonyl-4-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol
CID 12044495
2-[2-methoxy-6-methylsulfonyl-4-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethyl methanesulfonate
CID 12044496
N-[2-[2-methoxy-6-methylsulfonyl-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethyl]hydroxylamine
CID 22092618
2-[1-[3-methylsulfonyl-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]propan-2-yl]isoindole-1,3-dione
CID 59901295
1,2,3-trimethoxy-5-[2-methoxy-1-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)cyclopentyl]benzene
CID 57191517
2-[2,3-dipropoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]sulfonylethanol
CID 15078318
(2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
CID 67936629
2-[(E)-4-[3-methylsulfonyl-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]but-2-enyl]isoindole-1,3-dione
CID 12044522

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene?
The IUPAC name of 1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene (CID 57050314) is 1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene.
What is the SMILES notation for 1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene?
The canonical SMILES for 1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene is CCCOc1c(OC)cc(C2CCCC2(OC)c2cc(OC)c(OC)c(OC)c2)cc1S(C)(=O)=O.
What is the InChIKey of 1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene?
The InChIKey is MZUZHSIYVNJLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O8S/c1-8-12-34-25-20(29-2)13-17(14-23(25)35(7,27)28)19-10-9-11-26(19,33-6)18-15-21(30-3)24(32-5)22(16-18)31-4/h13-16,19H,8-12H2,1-7H3.
What are the key properties of 1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene?
1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene has a molecular weight of 508.63 g/mol, XLogP of 4.72, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-[2-methoxy-2-(3,4,5-trimethoxyphenyl)cyclopentyl]-3-methylsulfonyl-2-propoxybenzene is sourced from PubChem (CID 57050314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).