2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid

C24H27NO3 — CID 5043240

IUPAC2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
SMILESCCc1ccc(-c2[nH]c3ccc(OC4CCCCC4)cc3c2CC(=O)O)cc1
InChIInChI=1S/C24H27NO3/c1-2-16-8-10-17(11-9-16)24-21(15-23(26)27)20-14-19(12-13-22(20)25-24)28-18-6-4-3-5-7-18/h8-14,18,25H,2-7,15H2,1H3,(H,26,27)
InChIKeyNMJJWLOTSMYMAE-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.74
Rot. Bonds6

About 2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid

2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 5043240) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
PubChem CID5043240
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
SMILESCCc1ccc(-c2[nH]c3ccc(OC4CCCCC4)cc3c2CC(=O)O)cc1
InChIInChI=1S/C24H27NO3/c1-2-16-8-10-17(11-9-16)24-21(15-23(26)27)20-14-19(12-13-22(20)25-24)28-18-6-4-3-5-7-18/h8-14,18,25H,2-7,15H2,1H3,(H,26,27)
InChIKeyNMJJWLOTSMYMAE-UHFFFAOYSA-N
XLogP5.74
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-cyclohexyloxy-2-(3-ethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4551548
2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid
CID 3386582
2-[5-cyclohexyloxy-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
CID 3906528
2-[2-(5-bromo-2-methoxyphenyl)-5-cyclohexyloxy-1H-indol-3-yl]acetic acid
CID 3894141
2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 5212090
2-[5-ethyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid
CID 3936804
2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 3916073
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
2-(5-butoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 4991882
2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid
CID 3935848
2-[5-tert-butyl-2-(4-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 5236278
2-[2-(3,4-diethoxyphenyl)-5-ethoxy-1H-indol-3-yl]acetic acid
CID 3921291

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid (CID 5043240) is 2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid is CCc1ccc(-c2[nH]c3ccc(OC4CCCCC4)cc3c2CC(=O)O)cc1.
What is the InChIKey of 2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is NMJJWLOTSMYMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-2-16-8-10-17(11-9-16)24-21(15-23(26)27)20-14-19(12-13-22(20)25-24)28-18-6-4-3-5-7-18/h8-14,18,25H,2-7,15H2,1H3,(H,26,27).
What are the key properties of 2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid?
2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 377.48 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclohexyloxy-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 5043240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).