5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid

C29H32O5 — CID 57325840

IUPAC5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CC(C(=O)O)C4)c2)c(C)c1
InChIInChI=1S/C29H32O5/c1-4-32-10-11-33-27-12-19(2)28(20(3)13-27)23-7-5-6-21(14-23)18-34-26-9-8-22-15-25(29(30)31)16-24(22)17-26/h5-9,12-14,17,25H,4,10-11,15-16,18H2,1-3H3,(H,30,31)
InChIKeyUFZFEACIVPSNQS-UHFFFAOYSA-N
MW460.57 g/mol
LogP5.76
Rot. Bonds10

About 5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid

5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 57325840) has the molecular formula C29H32O5 and a molecular weight of 460.57 g/mol. Its IUPAC name is 5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID57325840
Molecular FormulaC29H32O5
Molecular Weight460.57 g/mol
Exact Mass460.22
IUPAC Name5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CC(C(=O)O)C4)c2)c(C)c1
InChIInChI=1S/C29H32O5/c1-4-32-10-11-33-27-12-19(2)28(20(3)13-27)23-7-5-6-21(14-23)18-34-26-9-8-22-15-25(29(30)31)16-24(22)17-26/h5-9,12-14,17,25H,4,10-11,15-16,18H2,1-3H3,(H,30,31)
InChIKeyUFZFEACIVPSNQS-UHFFFAOYSA-N
XLogP5.76
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid (CID 57325840) is 5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid is CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CC(C(=O)O)C4)c2)c(C)c1.
What is the InChIKey of 5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is UFZFEACIVPSNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32O5/c1-4-32-10-11-33-27-12-19(2)28(20(3)13-27)23-7-5-6-21(14-23)18-34-26-9-8-22-15-25(29(30)31)16-24(22)17-26/h5-9,12-14,17,25H,4,10-11,15-16,18H2,1-3H3,(H,30,31).
What are the key properties of 5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid?
5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 460.57 g/mol, XLogP of 5.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 57325840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).