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

C16H19NO3 — CID 117435907

IUPAC1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid
SMILESCOc1c(C2(C(=O)O)CCCCC2)ccc2[nH]ccc12
InChIInChI=1S/C16H19NO3/c1-20-14-11-7-10-17-13(11)6-5-12(14)16(15(18)19)8-3-2-4-9-16/h5-7,10,17H,2-4,8-9H2,1H3,(H,18,19)
InChIKeyAVMIQLQCOZMVKF-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.46
Rot. Bonds3

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

1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid (PubChem CID 117435907) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid
PubChem CID117435907
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid
SMILESCOc1c(C2(C(=O)O)CCCCC2)ccc2[nH]ccc12
InChIInChI=1S/C16H19NO3/c1-20-14-11-7-10-17-13(11)6-5-12(14)16(15(18)19)8-3-2-4-9-16/h5-7,10,17H,2-4,8-9H2,1H3,(H,18,19)
InChIKeyAVMIQLQCOZMVKF-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid
CID 117435910
1-(3,4-difluoro-2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117428788
1-(4-fluoro-2,3-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388602
1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid
CID 117405081
1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117438584
1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117435909
1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426
1-(2-methoxy-3-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117442750
1-(4-chloro-3-fluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117434480
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117469164
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid (CID 117435907) is 1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid is COc1c(C2(C(=O)O)CCCCC2)ccc2[nH]ccc12.
What is the InChIKey of 1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid?
The InChIKey is AVMIQLQCOZMVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-14-11-7-10-17-13(11)6-5-12(14)16(15(18)19)8-3-2-4-9-16/h5-7,10,17H,2-4,8-9H2,1H3,(H,18,19).
What are the key properties of 1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid?
1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117435907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).