2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one

C15H16ClNO — CID 175486268

IUPAC2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one
SMILESCn1cc(C2CCCCC2=O)c2c(Cl)cccc21
InChIInChI=1S/C15H16ClNO/c1-17-9-11(10-5-2-3-8-14(10)18)15-12(16)6-4-7-13(15)17/h4,6-7,9-10H,2-3,5,8H2,1H3
InChIKeyTXVFSWRVBCBZTO-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.06
Rot. Bonds1

About 2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one

2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one (PubChem CID 175486268) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one
PubChem CID175486268
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one
SMILESCn1cc(C2CCCCC2=O)c2c(Cl)cccc21
InChIInChI=1S/C15H16ClNO/c1-17-9-11(10-5-2-3-8-14(10)18)15-12(16)6-4-7-13(15)17/h4,6-7,9-10H,2-3,5,8H2,1H3
InChIKeyTXVFSWRVBCBZTO-UHFFFAOYSA-N
XLogP4.06
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-1H-indol-3-yl)cyclohexan-1-one
CID 172762158
2-[1-(4-chloronaphthalen-1-yl)indol-3-yl]cyclohexan-1-one
CID 176627784
2-(2,4-dichlorophenyl)cyclopentan-1-one
CID 130164346
(2R)-2-[2-chloro-4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 171575912
5-chloro-1-methylquinolin-4-one
CID 122129798
2-(6-chloro-2-pyridinyl)cyclohexan-1-one
CID 10943734
N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide
CID 46940686
(2S)-2-(2-chlorophenyl)cyclobutan-1-one
CID 95240660
2-(2-cyclobutylphenyl)cyclohexan-1-one
CID 114605762
2-(3-bromo-2-chlorophenyl)cyclopentan-1-one
CID 130040874
2-(1-methylindole-3-carbonyl)cyclopentan-1-one
CID 102291914
(4-chloro-1-methylindol-3-yl)methanol
CID 117119629

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one?
The IUPAC name of 2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one (CID 175486268) is 2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one?
The canonical SMILES for 2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one is Cn1cc(C2CCCCC2=O)c2c(Cl)cccc21.
What is the InChIKey of 2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one?
The InChIKey is TXVFSWRVBCBZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-17-9-11(10-5-2-3-8-14(10)18)15-12(16)6-4-7-13(15)17/h4,6-7,9-10H,2-3,5,8H2,1H3.
What are the key properties of 2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one?
2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one has a molecular weight of 261.75 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-methylindol-3-yl)cyclohexan-1-one is sourced from PubChem (CID 175486268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).