1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid

C16H18ClNO2 — CID 117471253

IUPAC1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid
SMILESCc1cc2cc(Cl)c(C3(C(=O)O)CCCCC3)cc2[nH]1
InChIInChI=1S/C16H18ClNO2/c1-10-7-11-8-13(17)12(9-14(11)18-10)16(15(19)20)5-3-2-4-6-16/h7-9,18H,2-6H2,1H3,(H,19,20)
InChIKeyXZXFXXWDLPVEDZ-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.42
Rot. Bonds2

About 1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid

1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid (PubChem CID 117471253) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid
PubChem CID117471253
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid
SMILESCc1cc2cc(Cl)c(C3(C(=O)O)CCCCC3)cc2[nH]1
InChIInChI=1S/C16H18ClNO2/c1-10-7-11-8-13(17)12(9-14(11)18-10)16(15(19)20)5-3-2-4-6-16/h7-9,18H,2-6H2,1H3,(H,19,20)
InChIKeyXZXFXXWDLPVEDZ-UHFFFAOYSA-N
XLogP4.42
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117435909
1-(2-chloro-4-methylphenyl)cyclopentane-1-carboxylic acid
CID 117349897
1-(2,5-dichloro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466952
1-(5-chloro-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454399
1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117420844
1-(5-chloro-2,3-dimethoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117497845
1-(3-chloro-2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454417
1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800
1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid
CID 117435910
1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117495558
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-(4-chloro-2,5-difluorophenyl)cyclohexane-1-carboxylic acid
CID 117439170

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid (CID 117471253) is 1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid is Cc1cc2cc(Cl)c(C3(C(=O)O)CCCCC3)cc2[nH]1.
What is the InChIKey of 1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid?
The InChIKey is XZXFXXWDLPVEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-10-7-11-8-13(17)12(9-14(11)18-10)16(15(19)20)5-3-2-4-6-16/h7-9,18H,2-6H2,1H3,(H,19,20).
What are the key properties of 1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid?
1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid has a molecular weight of 291.78 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methyl-1H-indol-6-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117471253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).