1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid

C16H19NO3 — CID 117435909

IUPAC1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
SMILESCc1cc2c(O)c(C3(C(=O)O)CCCCC3)ccc2[nH]1
InChIInChI=1S/C16H19NO3/c1-10-9-11-13(17-10)6-5-12(14(11)18)16(15(19)20)7-3-2-4-8-16/h5-6,9,17-18H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyZXTXKRNYDADYMG-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.47
Rot. Bonds2

About 1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid

1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid (PubChem CID 117435909) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
PubChem CID117435909
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
SMILESCc1cc2c(O)c(C3(C(=O)O)CCCCC3)ccc2[nH]1
InChIInChI=1S/C16H19NO3/c1-10-9-11-13(17-10)6-5-12(14(11)18)16(15(19)20)7-3-2-4-8-16/h5-6,9,17-18H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyZXTXKRNYDADYMG-UHFFFAOYSA-N
XLogP3.47
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid
CID 117471253
1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117435907
1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344788
1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117425482
1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid
CID 117410446
1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426
1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800
1-(2-amino-3,5-dimethylphenyl)cycloheptane-1-carboxylic acid
CID 106702527
1-(2-fluoro-3,4-dihydroxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117424291
1-(3-fluoro-2-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299936
1-(4-chloro-2,3-dihydroxyphenyl)cyclopentane-1-carboxylic acid
CID 117394993
1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid
CID 117349897

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid (CID 117435909) is 1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid is Cc1cc2c(O)c(C3(C(=O)O)CCCCC3)ccc2[nH]1.
What is the InChIKey of 1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid?
The InChIKey is ZXTXKRNYDADYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-9-11-13(17-10)6-5-12(14(11)18)16(15(19)20)7-3-2-4-8-16/h5-6,9,17-18H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of 1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid?
1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117435909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).