2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone

C24H30O6 — CID 160718858

IUPAC2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone
SMILESCOc1ccc(COCCOc2ccc(C(=O)C[C@@H]3CCC[C@H]3O)cc2OC)cc1
InChIInChI=1S/C24H30O6/c1-27-20-9-6-17(7-10-20)16-29-12-13-30-23-11-8-19(15-24(23)28-2)22(26)14-18-4-3-5-21(18)25/h6-11,15,18,21,25H,3-5,12-14,16H2,1-2H3/t18-,21+/m0/s1
InChIKeyCIHMPOVMGHGYPY-GHTZIAJQSA-N
MW414.50 g/mol
LogP4.03
Rot. Bonds11

About 2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone

2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone (PubChem CID 160718858) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone
PubChem CID160718858
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Name2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone
SMILESCOc1ccc(COCCOc2ccc(C(=O)C[C@@H]3CCC[C@H]3O)cc2OC)cc1
InChIInChI=1S/C24H30O6/c1-27-20-9-6-17(7-10-20)16-29-12-13-30-23-11-8-19(15-24(23)28-2)22(26)14-18-4-3-5-21(18)25/h6-11,15,18,21,25H,3-5,12-14,16H2,1-2H3/t18-,21+/m0/s1
InChIKeyCIHMPOVMGHGYPY-GHTZIAJQSA-N
XLogP4.03
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone 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-[1-(3,4-dimethoxyphenyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone
CID 141157601
1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-[3-chloro-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione
CID 161287346
1-cyclopropyl-3-(3,4-dimethoxyphenyl)propane-1,3-dione
CID 55204524
2-[(2R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-2-yl]-1-(4-methoxyphenyl)ethanone
CID 70676957
1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione
CID 167676614
S-ethyl 2-[(1S,2S)-2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentyl]ethanethioate
CID 154715236
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 2510229
2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 13024939
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
2-bromo-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 54438505
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone?
The IUPAC name of 2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone (CID 160718858) is 2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone.
What is the SMILES notation for 2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone?
The canonical SMILES for 2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone is COc1ccc(COCCOc2ccc(C(=O)C[C@@H]3CCC[C@H]3O)cc2OC)cc1.
What is the InChIKey of 2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone?
The InChIKey is CIHMPOVMGHGYPY-GHTZIAJQSA-N. The full InChI is InChI=1S/C24H30O6/c1-27-20-9-6-17(7-10-20)16-29-12-13-30-23-11-8-19(15-24(23)28-2)22(26)14-18-4-3-5-21(18)25/h6-11,15,18,21,25H,3-5,12-14,16H2,1-2H3/t18-,21+/m0/s1.
What are the key properties of 2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone?
2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone has a molecular weight of 414.50 g/mol, XLogP of 4.03, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-hydroxycyclopentyl]-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]ethanone is sourced from PubChem (CID 160718858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).