2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene

C21H28O7 — CID 162867963

IUPAC2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene
SMILESCOCCOc1cc(OC)cc(OC)c1[C@H](OC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H28O7/c1-22-9-10-28-19-13-15(23-2)12-18(26-5)20(19)21(27-6)14-7-8-16(24-3)17(11-14)25-4/h7-8,11-13,21H,9-10H2,1-6H3/t21-/m1/s1
InChIKeyWFQUJVPQIYCOMB-OAQYLSRUSA-N
MW392.45 g/mol
LogP3.48
Rot. Bonds11

About 2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene

2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene (PubChem CID 162867963) has the molecular formula C21H28O7 and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene
PubChem CID162867963
Molecular FormulaC21H28O7
Molecular Weight392.45 g/mol
Exact Mass392.18
IUPAC Name2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene
SMILESCOCCOc1cc(OC)cc(OC)c1[C@H](OC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H28O7/c1-22-9-10-28-19-13-15(23-2)12-18(26-5)20(19)21(27-6)14-7-8-16(24-3)17(11-14)25-4/h7-8,11-13,21H,9-10H2,1-6H3/t21-/m1/s1
InChIKeyWFQUJVPQIYCOMB-OAQYLSRUSA-N
XLogP3.48
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene 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

1,4-dimethoxy-2-(2-methoxyethoxy)benzene
CID 132577892
4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene
CID 6424872
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-(1-bromopropyl)-1,3,5-trimethoxybenzene
CID 61098697
4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene
CID 53216998
1-(3-bromopropoxy)-2,4-dimethoxybenzene
CID 119089808
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide
CID 104706273
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one
CID 67337211
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene?
The IUPAC name of 2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene (CID 162867963) is 2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene.
What is the SMILES notation for 2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene?
The canonical SMILES for 2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene is COCCOc1cc(OC)cc(OC)c1[C@H](OC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene?
The InChIKey is WFQUJVPQIYCOMB-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28O7/c1-22-9-10-28-19-13-15(23-2)12-18(26-5)20(19)21(27-6)14-7-8-16(24-3)17(11-14)25-4/h7-8,11-13,21H,9-10H2,1-6H3/t21-/m1/s1.
What are the key properties of 2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene?
2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene has a molecular weight of 392.45 g/mol, XLogP of 3.48, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene is sourced from PubChem (CID 162867963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).