dimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate

C24H30O6 — CID 142630934

IUPACdimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate
SMILESCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)(C(=O)OC)C(=O)OC
InChIInChI=1S/C24H30O6/c1-5-14-24(22(25)28-3,23(26)29-4)17-19-11-12-20(27-2)21(16-19)30-15-13-18-9-7-6-8-10-18/h6-12,16H,5,13-15,17H2,1-4H3
InChIKeyQOKNRPUXJYSRRE-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.99
Rot. Bonds11

About dimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate

dimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate (PubChem CID 142630934) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is dimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate.

Molecular Properties

Compound Namedimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate
PubChem CID142630934
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Namedimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate
SMILESCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)(C(=O)OC)C(=O)OC
InChIInChI=1S/C24H30O6/c1-5-14-24(22(25)28-3,23(26)29-4)17-19-11-12-20(27-2)21(16-19)30-15-13-18-9-7-6-8-10-18/h6-12,16H,5,13-15,17H2,1-4H3
InChIKeyQOKNRPUXJYSRRE-UHFFFAOYSA-N
XLogP3.99
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate 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-(ethoxymethyl)-2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]propanedioic acid
CID 139726344
1-methoxy-4-(5-methyl-2-propylhexyl)-2-(2-phenylethoxy)benzene
CID 19606416
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine
CID 100949044
1-[4-methoxy-3-(2-phenylethoxy)phenyl]propan-2-yl-propylazanium chloride
CID 10522764
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]propanoic acid
CID 66527971
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]acetate
CID 7139445
[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
1-[4-methoxy-3-(2-phenylethoxy)phenyl]-N-propylnonan-2-amine
CID 10811587
(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]-N-propylnonan-2-amine
CID 100949068
(2S)-2-[(3-butoxy-4-methoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796489

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate?
The IUPAC name of dimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate (CID 142630934) is dimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate.
What is the SMILES notation for dimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate?
The canonical SMILES for dimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate is CCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate?
The InChIKey is QOKNRPUXJYSRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6/c1-5-14-24(22(25)28-3,23(26)29-4)17-19-11-12-20(27-2)21(16-19)30-15-13-18-9-7-6-8-10-18/h6-12,16H,5,13-15,17H2,1-4H3.
What are the key properties of dimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate?
dimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate has a molecular weight of 414.50 g/mol, XLogP of 3.99, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[4-methoxy-3-(2-phenylethoxy)phenyl]methyl]-2-propylpropanedioate is sourced from PubChem (CID 142630934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).