6-phenylmethoxy-1H-indole-3-carbaldehyde

C16H13NO2 — CID 22014791

IUPAC6-phenylmethoxy-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C16H13NO2/c18-10-13-9-17-16-8-14(6-7-15(13)16)19-11-12-4-2-1-3-5-12/h1-10,17H,11H2
InChIKeyUUKFCVCTRWNXBI-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.56
Rot. Bonds4

About 6-phenylmethoxy-1H-indole-3-carbaldehyde

6-phenylmethoxy-1H-indole-3-carbaldehyde (PubChem CID 22014791) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 6-phenylmethoxy-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name6-phenylmethoxy-1H-indole-3-carbaldehyde
PubChem CID22014791
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name6-phenylmethoxy-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C16H13NO2/c18-10-13-9-17-16-8-14(6-7-15(13)16)19-11-12-4-2-1-3-5-12/h1-10,17H,11H2
InChIKeyUUKFCVCTRWNXBI-UHFFFAOYSA-N
XLogP3.56
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-phenylmethoxy-1H-indole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-1H-indole-3-carbaldehyde?
The IUPAC name of 6-phenylmethoxy-1H-indole-3-carbaldehyde (CID 22014791) is 6-phenylmethoxy-1H-indole-3-carbaldehyde.
What is the SMILES notation for 6-phenylmethoxy-1H-indole-3-carbaldehyde?
The canonical SMILES for 6-phenylmethoxy-1H-indole-3-carbaldehyde is O=Cc1c[nH]c2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 6-phenylmethoxy-1H-indole-3-carbaldehyde?
The InChIKey is UUKFCVCTRWNXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-10-13-9-17-16-8-14(6-7-15(13)16)19-11-12-4-2-1-3-5-12/h1-10,17H,11H2.
What are the key properties of 6-phenylmethoxy-1H-indole-3-carbaldehyde?
6-phenylmethoxy-1H-indole-3-carbaldehyde has a molecular weight of 251.28 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-1H-indole-3-carbaldehyde is sourced from PubChem (CID 22014791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).