1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid

C16H19NO3 — CID 117435910

IUPAC1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid
SMILESCOc1cc2cc[nH]c2cc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C16H19NO3/c1-20-14-9-11-5-8-17-13(11)10-12(14)16(15(18)19)6-3-2-4-7-16/h5,8-10,17H,2-4,6-7H2,1H3,(H,18,19)
InChIKeyLAZSVJCWDWLPLR-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.46
Rot. Bonds3

About 1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid

1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid (PubChem CID 117435910) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid
PubChem CID117435910
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid
SMILESCOc1cc2cc[nH]c2cc1C1(C(=O)O)CCCCC1
InChIInChI=1S/C16H19NO3/c1-20-14-9-11-5-8-17-13(11)10-12(14)16(15(18)19)6-3-2-4-7-16/h5,8-10,17H,2-4,6-7H2,1H3,(H,18,19)
InChIKeyLAZSVJCWDWLPLR-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-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117435907
1-(4-hydroxy-2,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383425
1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid
CID 82618762
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
1-(4-bromo-2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498389
1-(5-chloro-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454399
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopentane-1-carboxylic acid
CID 117445897
1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117348579
1-(2-methoxy-4-methylsulfonylphenyl)cyclohexane-1-carboxylic acid
CID 117497681
1-(2,5-dichloro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466952
1-[4-(difluoromethyl)-2,5-dimethoxyphenyl]cyclobutane-1-carboxylic acid
CID 117461580

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid (CID 117435910) is 1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid is COc1cc2cc[nH]c2cc1C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid?
The InChIKey is LAZSVJCWDWLPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-14-9-11-5-8-17-13(11)10-12(14)16(15(18)19)6-3-2-4-7-16/h5,8-10,17H,2-4,6-7H2,1H3,(H,18,19).
What are the key properties of 1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid?
1-(5-methoxy-1H-indol-6-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-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117435910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).