1-[4-(chloromethyl)phenyl]indole

C15H12ClN — CID 13021305

IUPAC1-[4-(chloromethyl)phenyl]indole
SMILESClCc1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C15H12ClN/c16-11-12-5-7-14(8-6-12)17-10-9-13-3-1-2-4-15(13)17/h1-10H,11H2
InChIKeyXOHZYGXCHZJPKM-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.37
Rot. Bonds2

About 1-[4-(chloromethyl)phenyl]indole

1-[4-(chloromethyl)phenyl]indole (PubChem CID 13021305) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-[4-(chloromethyl)phenyl]indole.

Molecular Properties

Compound Name1-[4-(chloromethyl)phenyl]indole
PubChem CID13021305
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name1-[4-(chloromethyl)phenyl]indole
SMILESClCc1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C15H12ClN/c16-11-12-5-7-14(8-6-12)17-10-9-13-3-1-2-4-15(13)17/h1-10H,11H2
InChIKeyXOHZYGXCHZJPKM-UHFFFAOYSA-N
XLogP4.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-(4-indol-1-ylanilino)propan-2-ol
CID 168638329
4-indol-1-ylbenzamide
CID 10879114
1-(4-chloro-3-fluorophenyl)indole
CID 91422915
(1-phenylindol-5-yl)methanamine
CID 171652016
1-[4-[[(E)-1,3-diphenylprop-2-enyl]sulfanylmethyl]phenyl]indole
CID 135221933
3-(4-indol-1-ylanilino)propane-1,2-diol
CID 168596516
methyl 2-formamido-3-(4-indol-1-ylphenyl)propanoate
CID 23458848
1-[(4-indol-1-ylphenyl)diazenyl]naphthalen-2-amine
CID 123928182
CID 71178605
CID 71178605
2-(4-indol-1-ylphenyl)-1,3-benzoxazole
CID 150646214
CID 102409239
CID 102409239
1-(6-methoxy-3-pyridinyl)indole
CID 91806975

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)phenyl]indole?
The IUPAC name of 1-[4-(chloromethyl)phenyl]indole (CID 13021305) is 1-[4-(chloromethyl)phenyl]indole.
What is the SMILES notation for 1-[4-(chloromethyl)phenyl]indole?
The canonical SMILES for 1-[4-(chloromethyl)phenyl]indole is ClCc1ccc(-n2ccc3ccccc32)cc1.
What is the InChIKey of 1-[4-(chloromethyl)phenyl]indole?
The InChIKey is XOHZYGXCHZJPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN/c16-11-12-5-7-14(8-6-12)17-10-9-13-3-1-2-4-15(13)17/h1-10H,11H2.
What are the key properties of 1-[4-(chloromethyl)phenyl]indole?
1-[4-(chloromethyl)phenyl]indole has a molecular weight of 241.72 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)phenyl]indole is sourced from PubChem (CID 13021305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).