4-phenylmethoxy-1H-indole-3-carbaldehyde

C16H13NO2 — CID 7015846

IUPAC4-phenylmethoxy-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C16H13NO2/c18-10-13-9-17-14-7-4-8-15(16(13)14)19-11-12-5-2-1-3-6-12/h1-10,17H,11H2
InChIKeyWURDDLFAUSUSLT-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.56
Rot. Bonds4

About 4-phenylmethoxy-1H-indole-3-carbaldehyde

4-phenylmethoxy-1H-indole-3-carbaldehyde (PubChem CID 7015846) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-phenylmethoxy-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name4-phenylmethoxy-1H-indole-3-carbaldehyde
PubChem CID7015846
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name4-phenylmethoxy-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C16H13NO2/c18-10-13-9-17-14-7-4-8-15(16(13)14)19-11-12-5-2-1-3-6-12/h1-10,17H,11H2
InChIKeyWURDDLFAUSUSLT-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1H-indole-3-carbaldehyde?
The IUPAC name of 4-phenylmethoxy-1H-indole-3-carbaldehyde (CID 7015846) is 4-phenylmethoxy-1H-indole-3-carbaldehyde.
What is the SMILES notation for 4-phenylmethoxy-1H-indole-3-carbaldehyde?
The canonical SMILES for 4-phenylmethoxy-1H-indole-3-carbaldehyde is O=Cc1c[nH]c2cccc(OCc3ccccc3)c12.
What is the InChIKey of 4-phenylmethoxy-1H-indole-3-carbaldehyde?
The InChIKey is WURDDLFAUSUSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-10-13-9-17-14-7-4-8-15(16(13)14)19-11-12-5-2-1-3-6-12/h1-10,17H,11H2.
What are the key properties of 4-phenylmethoxy-1H-indole-3-carbaldehyde?
4-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 4-phenylmethoxy-1H-indole-3-carbaldehyde is sourced from PubChem (CID 7015846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).