methyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate

C26H25NO5 — CID 142737100

IUPACmethyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate
SMILESCOC(=O)Cc1c[nH]c2ccc(OCCCOc3cccc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C26H25NO5/c1-29-26(28)15-19-18-27-25-12-11-22(17-24(19)25)31-14-6-13-30-21-9-5-10-23(16-21)32-20-7-3-2-4-8-20/h2-5,7-12,16-18,27H,6,13-15H2,1H3
InChIKeyWWGQVOCJJJCNSD-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.52
Rot. Bonds10

About methyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate

methyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate (PubChem CID 142737100) has the molecular formula C26H25NO5 and a molecular weight of 431.49 g/mol. Its IUPAC name is methyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate
PubChem CID142737100
Molecular FormulaC26H25NO5
Molecular Weight431.49 g/mol
Exact Mass431.17
IUPAC Namemethyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate
SMILESCOC(=O)Cc1c[nH]c2ccc(OCCCOc3cccc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C26H25NO5/c1-29-26(28)15-19-18-27-25-12-11-22(17-24(19)25)31-14-6-13-30-21-9-5-10-23(16-21)32-20-7-3-2-4-8-20/h2-5,7-12,16-18,27H,6,13-15H2,1H3
InChIKeyWWGQVOCJJJCNSD-UHFFFAOYSA-N
XLogP5.52
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate with MolForge

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Related Compounds

methyl 2-[5-[3-[3-[(4-methylphenyl)methoxy]phenoxy]propoxy]-1H-indol-3-yl]acetate
CID 51038992
2-(5-butoxy-1H-indol-3-yl)acetic acid;methyl 2-(5-butoxy-1H-indol-3-yl)acetate
CID 158449887
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338
methyl 2-[3-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 22459062
(3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78874182
1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78873695
3-methyl-5-phenoxy-1H-indole
CID 82494590
2-[6-[3-[3-[(4-methylphenyl)methoxy]phenoxy]propoxy]-1H-indol-3-yl]acetic acid
CID 122183544
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate
CID 123770984
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)acetate;nitromethane
CID 142512839
2-[5-butoxy-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3948737

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate?
The IUPAC name of methyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate (CID 142737100) is methyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate?
The canonical SMILES for methyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate is COC(=O)Cc1c[nH]c2ccc(OCCCOc3cccc(Oc4ccccc4)c3)cc12.
What is the InChIKey of methyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate?
The InChIKey is WWGQVOCJJJCNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO5/c1-29-26(28)15-19-18-27-25-12-11-22(17-24(19)25)31-14-6-13-30-21-9-5-10-23(16-21)32-20-7-3-2-4-8-20/h2-5,7-12,16-18,27H,6,13-15H2,1H3.
What are the key properties of methyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate?
methyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate has a molecular weight of 431.49 g/mol, XLogP of 5.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[3-(3-phenoxyphenoxy)propoxy]-1H-indol-3-yl]acetate is sourced from PubChem (CID 142737100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).