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

C15H16ClNO2 — CID 117445308

IUPAC1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3[nH]cc(Cl)c3c2)CCCCC1
InChIInChI=1S/C15H16ClNO2/c16-12-9-17-13-5-4-10(8-11(12)13)15(14(18)19)6-2-1-3-7-15/h4-5,8-9,17H,1-3,6-7H2,(H,18,19)
InChIKeyVMJATTKAVWLQPQ-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.11
Rot. Bonds2

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

1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid (PubChem CID 117445308) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid
PubChem CID117445308
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3[nH]cc(Cl)c3c2)CCCCC1
InChIInChI=1S/C15H16ClNO2/c16-12-9-17-13-5-4-10(8-11(12)13)15(14(18)19)6-2-1-3-7-15/h4-5,8-9,17H,1-3,6-7H2,(H,18,19)
InChIKeyVMJATTKAVWLQPQ-UHFFFAOYSA-N
XLogP4.11
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117396793
1-(3-chloro-1H-indol-5-yl)cyclobutan-1-amine
CID 117315065
1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine
CID 84779300
1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid
CID 82618762
1-(3-chloro-1-methylindol-5-yl)cyclopentane-1-carboxylic acid
CID 117445299
3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole
CID 117341459
1-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]cyclobutane-1-carboxylic acid
CID 86698747
1-(3-chloro-4-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117430133
1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117474090
1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid
CID 117493650
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid
CID 82664593
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid (CID 117445308) is 1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid is O=C(O)C1(c2ccc3[nH]cc(Cl)c3c2)CCCCC1.
What is the InChIKey of 1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid?
The InChIKey is VMJATTKAVWLQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-12-9-17-13-5-4-10(8-11(12)13)15(14(18)19)6-2-1-3-7-15/h4-5,8-9,17H,1-3,6-7H2,(H,18,19).
What are the key properties of 1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid?
1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid has a molecular weight of 277.75 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117445308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).