2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid

C23H24BrNO4 — CID 3894141

IUPAC2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid
SMILESCOc1ccc(Br)cc1-c1[nH]c2ccc(OC3CCCCC3)cc2c1CC(=O)O
InChIInChI=1S/C23H24BrNO4/c1-28-21-10-7-14(24)11-19(21)23-18(13-22(26)27)17-12-16(8-9-20(17)25-23)29-15-5-3-2-4-6-15/h7-12,15,25H,2-6,13H2,1H3,(H,26,27)
InChIKeyCYUOEMFZUUCZOS-UHFFFAOYSA-N
MW458.35 g/mol
LogP5.94
Rot. Bonds6

About 2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid

2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid (PubChem CID 3894141) has the molecular formula C23H24BrNO4 and a molecular weight of 458.35 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid
PubChem CID3894141
Molecular FormulaC23H24BrNO4
Molecular Weight458.35 g/mol
Exact Mass457.09
IUPAC Name2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid
SMILESCOc1ccc(Br)cc1-c1[nH]c2ccc(OC3CCCCC3)cc2c1CC(=O)O
InChIInChI=1S/C23H24BrNO4/c1-28-21-10-7-14(24)11-19(21)23-18(13-22(26)27)17-12-16(8-9-20(17)25-23)29-15-5-3-2-4-6-15/h7-12,15,25H,2-6,13H2,1H3,(H,26,27)
InChIKeyCYUOEMFZUUCZOS-UHFFFAOYSA-N
XLogP5.94
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.35
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid with MolForge

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-3-(carboxymethyl)-1H-indole-5-carboxylic acid
CID 3633848
2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid
CID 3386582
2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3257517
2-[5-cyclohexyloxy-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
CID 3906528
2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
CID 5043240
2-[2-(5-bromo-2-ethoxyphenyl)-5-butoxy-1H-indol-3-yl]acetic acid
CID 4218766
3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid
CID 4233238
2-[2-(2,5-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 4588074
2-[5-cyclohexyloxy-2-(3-ethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4551548
2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid
CID 4645813
2-[2-(5-bromo-2-ethoxyphenyl)-5-tert-butyl-1H-indol-3-yl]acetic acid
CID 3309345
2-[2-(3-bromophenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 4037576

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid (CID 3894141) is 2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid is COc1ccc(Br)cc1-c1[nH]c2ccc(OC3CCCCC3)cc2c1CC(=O)O.
What is the InChIKey of 2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid?
The InChIKey is CYUOEMFZUUCZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrNO4/c1-28-21-10-7-14(24)11-19(21)23-18(13-22(26)27)17-12-16(8-9-20(17)25-23)29-15-5-3-2-4-6-15/h7-12,15,25H,2-6,13H2,1H3,(H,26,27).
What are the key properties of 2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid?
2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid has a molecular weight of 458.35 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3894141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).