2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde

C18H17NO2 — CID 10492940

IUPAC2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde
SMILESCc1ccc(C(O)c2c(C=O)c3ccccc3n2C)cc1
InChIInChI=1S/C18H17NO2/c1-12-7-9-13(10-8-12)18(21)17-15(11-20)14-5-3-4-6-16(14)19(17)2/h3-11,18,21H,1-2H3
InChIKeyGLRLUCMXACUZLU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.38
Rot. Bonds3

About 2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde

2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde (PubChem CID 10492940) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde
PubChem CID10492940
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde
SMILESCc1ccc(C(O)c2c(C=O)c3ccccc3n2C)cc1
InChIInChI=1S/C18H17NO2/c1-12-7-9-13(10-8-12)18(21)17-15(11-20)14-5-3-4-6-16(14)19(17)2/h3-11,18,21H,1-2H3
InChIKeyGLRLUCMXACUZLU-UHFFFAOYSA-N
XLogP3.38
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(4-methylphenoxy)indole-3-carbaldehyde
CID 2763797
2-fluoro-1-methylindole-3-carbaldehyde
CID 141053587
2-deuteriocarbonyl-1-methylindole-3-carbaldehyde
CID 12584870
3-hydroxy-9-methylcarbazole-4-carbaldehyde
CID 155346845
1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde
CID 134938903
4-(1-methyl-2-propan-2-ylindol-3-yl)but-3-en-2-one
CID 78051191
1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde
CID 87772568
2-azido-1-methylindole-3-carbaldehyde
CID 14245995
2-(2-formyl-1-methylindol-3-yl)sulfanylacetic acid
CID 11630181
2-[(E)-2-(dimethylamino)ethenyl]-1-methylindole-3-carbaldehyde;ethane
CID 91058510
2-hydroxy-1-methoxyindole-3-carbaldehyde
CID 137263288
dimethyl 2-[3-[3-methoxy-1-(4-methylphenyl)-3-oxopropyl]-1-methylindol-2-yl]propanedioate
CID 135059534

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde?
The IUPAC name of 2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde (CID 10492940) is 2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde.
What is the SMILES notation for 2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde?
The canonical SMILES for 2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde is Cc1ccc(C(O)c2c(C=O)c3ccccc3n2C)cc1.
What is the InChIKey of 2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde?
The InChIKey is GLRLUCMXACUZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-7-9-13(10-8-12)18(21)17-15(11-20)14-5-3-4-6-16(14)19(17)2/h3-11,18,21H,1-2H3.
What are the key properties of 2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde?
2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde has a molecular weight of 279.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(4-methylphenyl)methyl]-1-methylindole-3-carbaldehyde is sourced from PubChem (CID 10492940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).