4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid

C16H19NO3 — CID 83788644

IUPAC4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
SMILESCOc1ccc2[nH]cc(C3CCC(C(=O)O)CC3)c2c1
InChIInChI=1S/C16H19NO3/c1-20-12-6-7-15-13(8-12)14(9-17-15)10-2-4-11(5-3-10)16(18)19/h6-11,17H,2-5H2,1H3,(H,18,19)
InChIKeyVRLRNVKEJZZCPI-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.53
Rot. Bonds3

About 4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid

4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 83788644) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
PubChem CID83788644
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
SMILESCOc1ccc2[nH]cc(C3CCC(C(=O)O)CC3)c2c1
InChIInChI=1S/C16H19NO3/c1-20-12-6-7-15-13(8-12)14(9-17-15)10-2-4-11(5-3-10)16(18)19/h6-11,17H,2-5H2,1H3,(H,18,19)
InChIKeyVRLRNVKEJZZCPI-UHFFFAOYSA-N
XLogP3.53
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 103551734
5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 167745823
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 47538961
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
3-amino-2-tert-butyl-5-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylic acid
CID 126522706
2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087543
3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole
CID 171196660
5-methoxy-3-[3-(4-phenylpiperazin-1-yl)cyclopentyl]-1H-indole
CID 25166033

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid (CID 83788644) is 4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid is COc1ccc2[nH]cc(C3CCC(C(=O)O)CC3)c2c1.
What is the InChIKey of 4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is VRLRNVKEJZZCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-12-6-7-15-13(8-12)14(9-17-15)10-2-4-11(5-3-10)16(18)19/h6-11,17H,2-5H2,1H3,(H,18,19).
What are the key properties of 4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid?
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83788644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).