5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde

C20H19NO2 — CID 141367620

IUPAC5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2ccc(-c3ccc(C4(CO)CCC4)cc3)cc12
InChIInChI=1S/C20H19NO2/c22-12-16-11-21-19-7-4-15(10-18(16)19)14-2-5-17(6-3-14)20(13-23)8-1-9-20/h2-7,10-12,21,23H,1,8-9,13H2
InChIKeyLFWKRTKVMNFXTB-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.06
Rot. Bonds4

About 5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde

5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde (PubChem CID 141367620) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde
PubChem CID141367620
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2ccc(-c3ccc(C4(CO)CCC4)cc3)cc12
InChIInChI=1S/C20H19NO2/c22-12-16-11-21-19-7-4-15(10-18(16)19)14-2-5-17(6-3-14)20(13-23)8-1-9-20/h2-7,10-12,21,23H,1,8-9,13H2
InChIKeyLFWKRTKVMNFXTB-UHFFFAOYSA-N
XLogP4.06
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate
CID 174717725
6-cyano-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid;3-formyl-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-6-carbonitrile
CID 157302924
3-(3-formyl-1H-indol-5-yl)benzoic acid
CID 4186391
5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-indole-3-carbaldehyde
CID 123253866
1-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]cyclobutane-1-carboxylic acid
CID 86698747
1-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid
CID 86698769
5-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 4186285
2-acetamido-3-[5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]propanoic acid
CID 167891871
3-formyl-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-6-carbonitrile
CID 86698598
5-(3-nitrophenyl)-1H-indole-3-carbaldehyde
CID 23005016
5-(fluoromethyl)-1H-indole-3-carbaldehyde
CID 163735426
6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid
CID 71767830

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde?
The IUPAC name of 5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde (CID 141367620) is 5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde is O=Cc1c[nH]c2ccc(-c3ccc(C4(CO)CCC4)cc3)cc12.
What is the InChIKey of 5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde?
The InChIKey is LFWKRTKVMNFXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-12-16-11-21-19-7-4-15(10-18(16)19)14-2-5-17(6-3-14)20(13-23)8-1-9-20/h2-7,10-12,21,23H,1,8-9,13H2.
What are the key properties of 5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde?
5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde has a molecular weight of 305.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde is sourced from PubChem (CID 141367620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).