1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde

C16H13NO2 — CID 102911304

IUPAC1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(Cc3ccc(O)cc3)c2c1
InChIInChI=1S/C16H13NO2/c18-11-13-1-4-14-7-8-17(16(14)9-13)10-12-2-5-15(19)6-3-12/h1-9,11,19H,10H2
InChIKeyVFLRIERMFQJYCA-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.21
Rot. Bonds3

About 1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde

1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde (PubChem CID 102911304) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde
PubChem CID102911304
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(Cc3ccc(O)cc3)c2c1
InChIInChI=1S/C16H13NO2/c18-11-13-1-4-14-7-8-17(16(14)9-13)10-12-2-5-15(19)6-3-12/h1-9,11,19H,10H2
InChIKeyVFLRIERMFQJYCA-UHFFFAOYSA-N
XLogP3.21
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde (CID 102911304) is 1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde is O=Cc1ccc2ccn(Cc3ccc(O)cc3)c2c1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde?
The InChIKey is VFLRIERMFQJYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-11-13-1-4-14-7-8-17(16(14)9-13)10-12-2-5-15(19)6-3-12/h1-9,11,19H,10H2.
What are the key properties of 1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde?
1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde has a molecular weight of 251.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde is sourced from PubChem (CID 102911304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).