6-chloro-5-phenylmethoxy-1H-indole-3-carbaldehyde

C16H12ClNO2 — CID 58437547

IUPAC6-chloro-5-phenylmethoxy-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2cc(Cl)c(OCc3ccccc3)cc12
InChIInChI=1S/C16H12ClNO2/c17-14-7-15-13(12(9-19)8-18-15)6-16(14)20-10-11-4-2-1-3-5-11/h1-9,18H,10H2
InChIKeyTVQFSYUIOXVGDE-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.21
Rot. Bonds4

About 6-chloro-5-phenylmethoxy-1H-indole-3-carbaldehyde

6-chloro-5-phenylmethoxy-1H-indole-3-carbaldehyde (PubChem CID 58437547) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 6-chloro-5-phenylmethoxy-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-5-phenylmethoxy-1H-indole-3-carbaldehyde
PubChem CID58437547
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name6-chloro-5-phenylmethoxy-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2cc(Cl)c(OCc3ccccc3)cc12
InChIInChI=1S/C16H12ClNO2/c17-14-7-15-13(12(9-19)8-18-15)6-16(14)20-10-11-4-2-1-3-5-11/h1-9,18H,10H2
InChIKeyTVQFSYUIOXVGDE-UHFFFAOYSA-N
XLogP4.21
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.21
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 6-chloro-5-phenylmethoxy-1H-indole-3-carbaldehyde?
The IUPAC name of 6-chloro-5-phenylmethoxy-1H-indole-3-carbaldehyde (CID 58437547) is 6-chloro-5-phenylmethoxy-1H-indole-3-carbaldehyde.
What is the SMILES notation for 6-chloro-5-phenylmethoxy-1H-indole-3-carbaldehyde?
The canonical SMILES for 6-chloro-5-phenylmethoxy-1H-indole-3-carbaldehyde is O=Cc1c[nH]c2cc(Cl)c(OCc3ccccc3)cc12.
What is the InChIKey of 6-chloro-5-phenylmethoxy-1H-indole-3-carbaldehyde?
The InChIKey is TVQFSYUIOXVGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-14-7-15-13(12(9-19)8-18-15)6-16(14)20-10-11-4-2-1-3-5-11/h1-9,18H,10H2.
What are the key properties of 6-chloro-5-phenylmethoxy-1H-indole-3-carbaldehyde?
6-chloro-5-phenylmethoxy-1H-indole-3-carbaldehyde has a molecular weight of 285.73 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-phenylmethoxy-1H-indole-3-carbaldehyde is sourced from PubChem (CID 58437547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).