(3S)-3-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)propanal

C19H15NO2 — CID 122377976

IUPAC(3S)-3-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)propanal
SMILESO=CC[C@H](c1cc2ccccc2o1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H15NO2/c21-10-9-15(16-12-20-17-7-3-2-6-14(16)17)19-11-13-5-1-4-8-18(13)22-19/h1-8,10-12,15,20H,9H2/t15-/m0/s1
InChIKeyVPRBQXABNDSXJP-HNNXBMFYSA-N
MW289.33 g/mol
LogP4.64
Rot. Bonds4

About (3S)-3-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)propanal

(3S)-3-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)propanal (PubChem CID 122377976) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is (3S)-3-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)propanal.

Molecular Properties

Compound Name(3S)-3-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)propanal
PubChem CID122377976
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name(3S)-3-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)propanal
SMILESO=CC[C@H](c1cc2ccccc2o1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H15NO2/c21-10-9-15(16-12-20-17-7-3-2-6-14(16)17)19-11-13-5-1-4-8-18(13)22-19/h1-8,10-12,15,20H,9H2/t15-/m0/s1
InChIKeyVPRBQXABNDSXJP-HNNXBMFYSA-N
XLogP4.64
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
5-Methoxyindole-3-carbaldehyde
CID 82758
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole
CID 3385437
3-(benzofuran-3-yl)-4-(5-bromo-1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 16741475
6-Methoxy-1H-indole-3-carboxaldehyde
CID 907214
5-Benzyloxyindole-3-acetic acid
CID 96340
3-(1-benzofuran-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327664
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(furan-2-yl)isoquinoline
CID 23647585
furan-2-yl(1H-indol-3-yl)methanone
CID 958611

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)propanal?
The IUPAC name of (3S)-3-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)propanal (CID 122377976) is (3S)-3-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)propanal.
What is the SMILES notation for (3S)-3-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)propanal?
The canonical SMILES for (3S)-3-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)propanal is O=CC[C@H](c1cc2ccccc2o1)c1c[nH]c2ccccc12.
What is the InChIKey of (3S)-3-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)propanal?
The InChIKey is VPRBQXABNDSXJP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-10-9-15(16-12-20-17-7-3-2-6-14(16)17)19-11-13-5-1-4-8-18(13)22-19/h1-8,10-12,15,20H,9H2/t15-/m0/s1.
What are the key properties of (3S)-3-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)propanal?
(3S)-3-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)propanal has a molecular weight of 289.33 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-benzofuran-2-yl)-3-(1H-indol-3-yl)propanal is sourced from PubChem (CID 122377976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).