2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde

C18H16ClNO — CID 82268494

IUPAC2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde
SMILESCc1cccc(Cn2c(Cl)c(C=O)c3cc(C)ccc32)c1
InChIInChI=1S/C18H16ClNO/c1-12-4-3-5-14(8-12)10-20-17-7-6-13(2)9-15(17)16(11-21)18(20)19/h3-9,11H,10H2,1-2H3
InChIKeyMAKTUVOVMUTMNA-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.77
Rot. Bonds3

About 2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde

2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde (PubChem CID 82268494) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde
PubChem CID82268494
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde
SMILESCc1cccc(Cn2c(Cl)c(C=O)c3cc(C)ccc32)c1
InChIInChI=1S/C18H16ClNO/c1-12-4-3-5-14(8-12)10-20-17-7-6-13(2)9-15(17)16(11-21)18(20)19/h3-9,11H,10H2,1-2H3
InChIKeyMAKTUVOVMUTMNA-UHFFFAOYSA-N
XLogP4.77
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
[2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol
CID 82268819
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792
2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indole-3-carbonitrile
CID 82268820
1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol
CID 82268397
5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513
10-benzyl-2-chloro-7-methylacridin-9-one
CID 139792411
1-benzyl-2,7-dichloroindole-3-carbaldehyde
CID 82269368
1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde
CID 99991385
1-[(3,4-dichlorophenyl)methyl]-2-methylindole-3-carbaldehyde
CID 879291
1,3-dimethyl-5-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3475729
6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
CID 17190267

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde?
The IUPAC name of 2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde (CID 82268494) is 2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde.
What is the SMILES notation for 2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde?
The canonical SMILES for 2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde is Cc1cccc(Cn2c(Cl)c(C=O)c3cc(C)ccc32)c1.
What is the InChIKey of 2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde?
The InChIKey is MAKTUVOVMUTMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-12-4-3-5-14(8-12)10-20-17-7-6-13(2)9-15(17)16(11-21)18(20)19/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde?
2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde has a molecular weight of 297.79 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-1-[(3-methylphenyl)methyl]indole-3-carbaldehyde is sourced from PubChem (CID 82268494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).