1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid

C27H25NO4 — CID 10274111

IUPAC1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid
SMILESCOc1cccc(-c2c(C(=O)O)n(Cc3cccc(OCC4CC4)c3)c3ccccc23)c1
InChIInChI=1S/C27H25NO4/c1-31-21-8-5-7-20(15-21)25-23-10-2-3-11-24(23)28(26(25)27(29)30)16-19-6-4-9-22(14-19)32-17-18-12-13-18/h2-11,14-15,18H,12-13,16-17H2,1H3,(H,29,30)
InChIKeyZTFNTIUFNDZGCP-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.85
Rot. Bonds8

About 1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid

1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid (PubChem CID 10274111) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid
PubChem CID10274111
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid
SMILESCOc1cccc(-c2c(C(=O)O)n(Cc3cccc(OCC4CC4)c3)c3ccccc23)c1
InChIInChI=1S/C27H25NO4/c1-31-21-8-5-7-20(15-21)25-23-10-2-3-11-24(23)28(26(25)27(29)30)16-19-6-4-9-22(14-19)32-17-18-12-13-18/h2-11,14-15,18H,12-13,16-17H2,1H3,(H,29,30)
InChIKeyZTFNTIUFNDZGCP-UHFFFAOYSA-N
XLogP5.85
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-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

Related Compounds

1-[1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indol-2-yl]ethanone
CID 59066246
3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-phenylmethoxyindole-2-carboxylic acid
CID 22676794
5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 10278700
3-[4-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 10297013
[3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indol-2-yl]methanol
CID 142136286
3-[3-(butanoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 142136236
N-[3-[1-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-(dihydroxymethyl)indol-3-yl]phenyl]acetamide
CID 142136250
2-[3-[4-(cyclopropylmethoxy)phenyl]-2-ethoxycarbonyl-1-[(3-methoxyphenyl)methyl]indol-5-yl]oxyacetic acid
CID 10119223
3-bromo-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 22310832
3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 160556756
3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-4-methylpyrrole-2-carboxylic acid
CID 142136243
3-(4-tert-butylphenyl)-5-(cyclopropanecarbonyl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 59066130

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid?
The IUPAC name of 1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid (CID 10274111) is 1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid.
What is the SMILES notation for 1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid?
The canonical SMILES for 1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid is COc1cccc(-c2c(C(=O)O)n(Cc3cccc(OCC4CC4)c3)c3ccccc23)c1.
What is the InChIKey of 1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid?
The InChIKey is ZTFNTIUFNDZGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-31-21-8-5-7-20(15-21)25-23-10-2-3-11-24(23)28(26(25)27(29)30)16-19-6-4-9-22(14-19)32-17-18-12-13-18/h2-11,14-15,18H,12-13,16-17H2,1H3,(H,29,30).
What are the key properties of 1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid?
1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid has a molecular weight of 427.50 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid is sourced from PubChem (CID 10274111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).