6-(cyclopropylmethoxy)-1H-indole-2-carbaldehyde;[6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol

C26H28N2O4 — CID 159539560

IUPAC6-(cyclopropylmethoxy)-1H-indole-2-carbaldehyde;[6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol
SMILESO=Cc1cc2ccc(OCC3CC3)cc2[nH]1.OCc1cc2ccc(OCC3CC3)cc2[nH]1
InChIInChI=1S/C13H15NO2.C13H13NO2/c2*15-7-11-5-10-3-4-12(6-13(10)14-11)16-8-9-1-2-9/h3-6,9,14-15H,1-2,7-8H2;3-7,9,14H,1-2,8H2
InChIKeyMEAJOIIHIDUVAH-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.22
Rot. Bonds8

About 6-(cyclopropylmethoxy)-1H-indole-2-carbaldehyde;[6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol

6-(cyclopropylmethoxy)-1H-indole-2-carbaldehyde;[6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol (PubChem CID 159539560) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-1H-indole-2-carbaldehyde;[6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-1H-indole-2-carbaldehyde;[6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol
PubChem CID159539560
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name6-(cyclopropylmethoxy)-1H-indole-2-carbaldehyde;[6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol
SMILESO=Cc1cc2ccc(OCC3CC3)cc2[nH]1.OCc1cc2ccc(OCC3CC3)cc2[nH]1
InChIInChI=1S/C13H15NO2.C13H13NO2/c2*15-7-11-5-10-3-4-12(6-13(10)14-11)16-8-9-1-2-9/h3-6,9,14-15H,1-2,7-8H2;3-7,9,14H,1-2,8H2
InChIKeyMEAJOIIHIDUVAH-UHFFFAOYSA-N
XLogP5.22
TPSA87.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(phenylmethoxy)-1H-indole-2-carboxylic acid
CID 81146
4-(benzyloxy)-1H-indole-2-carboxylic acid
CID 2735497
Bis(1H-2-indolyl)methanone 12
CID 5330528
6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid
CID 260801
6-methoxy-3-methyl-1H-indole-2-carboxylic acid
CID 53418085
6-methoxy-1H-indole-2-carboxylic acid
CID 410327
Bis(1H-2-indolyl)methanone 41
CID 5330537
(6-Hydroxy-1H-indol-2-yl)-(4-phenoxymethyl-piperidin-1-yl)-methanone
CID 9903013
(6-hydroxy-1H-indole-2-yl)-(4-phenoxypiperidine)-methanone
CID 9945694
2-Carboxy-6-phenoxy-1H-indole-3-propionic acid
CID 15747657
3-[(4-allyloxyphenyl)-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid
CID 22333190
Bis(1H-2-indolyl)methanone 46
CID 5330542

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-1H-indole-2-carbaldehyde;[6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol?
The IUPAC name of 6-(cyclopropylmethoxy)-1H-indole-2-carbaldehyde;[6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol (CID 159539560) is 6-(cyclopropylmethoxy)-1H-indole-2-carbaldehyde;[6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol.
What is the SMILES notation for 6-(cyclopropylmethoxy)-1H-indole-2-carbaldehyde;[6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol?
The canonical SMILES for 6-(cyclopropylmethoxy)-1H-indole-2-carbaldehyde;[6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol is O=Cc1cc2ccc(OCC3CC3)cc2[nH]1.OCc1cc2ccc(OCC3CC3)cc2[nH]1.
What is the InChIKey of 6-(cyclopropylmethoxy)-1H-indole-2-carbaldehyde;[6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol?
The InChIKey is MEAJOIIHIDUVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.C13H13NO2/c2*15-7-11-5-10-3-4-12(6-13(10)14-11)16-8-9-1-2-9/h3-6,9,14-15H,1-2,7-8H2;3-7,9,14H,1-2,8H2.
What are the key properties of 6-(cyclopropylmethoxy)-1H-indole-2-carbaldehyde;[6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol?
6-(cyclopropylmethoxy)-1H-indole-2-carbaldehyde;[6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol has a molecular weight of 432.52 g/mol, XLogP of 5.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-1H-indole-2-carbaldehyde;[6-(cyclopropylmethoxy)-1H-indol-2-yl]methanol is sourced from PubChem (CID 159539560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).