1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde

C17H14FNO2 — CID 102910663

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde
SMILESCOc1ccc(Cn2ccc3cc(C=O)ccc32)c(F)c1
InChIInChI=1S/C17H14FNO2/c1-21-15-4-3-14(16(18)9-15)10-19-7-6-13-8-12(11-20)2-5-17(13)19/h2-9,11H,10H2,1H3
InChIKeyBZDGJVQBRHTHQK-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.65
Rot. Bonds4

About 1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde

1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde (PubChem CID 102910663) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde
PubChem CID102910663
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde
SMILESCOc1ccc(Cn2ccc3cc(C=O)ccc32)c(F)c1
InChIInChI=1S/C17H14FNO2/c1-21-15-4-3-14(16(18)9-15)10-19-7-6-13-8-12(11-20)2-5-17(13)19/h2-9,11H,10H2,1H3
InChIKeyBZDGJVQBRHTHQK-UHFFFAOYSA-N
XLogP3.65
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]indole-5-carbaldehyde
CID 102910413
5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline
CID 64768625
1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde
CID 17221163
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole
CID 102879188
1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde
CID 102910740
methyl 2-(5-formylindol-1-yl)acetate
CID 102910523
1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde
CID 102910670
3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde
CID 102876852
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde
CID 103047362
1-[(2-nitrophenyl)methyl]indole-5-carbaldehyde
CID 102910453
[2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine
CID 43329869
1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde
CID 102910646

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde (CID 102910663) is 1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde is COc1ccc(Cn2ccc3cc(C=O)ccc32)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde?
The InChIKey is BZDGJVQBRHTHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-21-15-4-3-14(16(18)9-15)10-19-7-6-13-8-12(11-20)2-5-17(13)19/h2-9,11H,10H2,1H3.
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde?
1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde has a molecular weight of 283.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde is sourced from PubChem (CID 102910663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).