(E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol

C24H19NO2 — CID 143214541

IUPAC(E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol
SMILESOC/C=C/Cn1c(-c2cc3ccccc3o2)cc2c3ccccc3ccc21
InChIInChI=1S/C24H19NO2/c26-14-6-5-13-25-21-12-11-17-7-1-3-9-19(17)20(21)16-22(25)24-15-18-8-2-4-10-23(18)27-24/h1-12,15-16,26H,13-14H2/b6-5+
InChIKeyKFXZALODNUBXLA-AATRIKPKSA-N
MW353.42 g/mol
LogP5.76
Rot. Bonds4

About (E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol

(E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol (PubChem CID 143214541) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is (E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol
PubChem CID143214541
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name(E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol
SMILESOC/C=C/Cn1c(-c2cc3ccccc3o2)cc2c3ccccc3ccc21
InChIInChI=1S/C24H19NO2/c26-14-6-5-13-25-21-12-11-17-7-1-3-9-19(17)20(21)16-22(25)24-15-18-8-2-4-10-23(18)27-24/h1-12,15-16,26H,13-14H2/b6-5+
InChIKeyKFXZALODNUBXLA-AATRIKPKSA-N
XLogP5.76
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]-4-methylhex-4-enoic acid;prop-1-ene
CID 143214683
(E)-4-[2-(1-benzofuran-2-yl)-4,5-dihydrobenzo[e]indol-3-yl]but-2-enoic acid
CID 143214608
3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 70659036
2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole
CID 90119948
3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146183239
2-[7-(1-benzofuran-2-yl)benzo[a]anthracen-12-yl]-1-benzofuran
CID 59601077
methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate
CID 71059270
2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine
CID 82387904
2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622625
2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine
CID 71138501
3-(hydroxymethyl)chromen-2-one
CID 22921481
2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran
CID 143851022

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol?
The IUPAC name of (E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol (CID 143214541) is (E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol.
What is the SMILES notation for (E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol?
The canonical SMILES for (E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol is OC/C=C/Cn1c(-c2cc3ccccc3o2)cc2c3ccccc3ccc21.
What is the InChIKey of (E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol?
The InChIKey is KFXZALODNUBXLA-AATRIKPKSA-N. The full InChI is InChI=1S/C24H19NO2/c26-14-6-5-13-25-21-12-11-17-7-1-3-9-19(17)20(21)16-22(25)24-15-18-8-2-4-10-23(18)27-24/h1-12,15-16,26H,13-14H2/b6-5+.
What are the key properties of (E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol?
(E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol has a molecular weight of 353.42 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-(1-benzofuran-2-yl)benzo[e]indol-3-yl]but-2-en-1-ol is sourced from PubChem (CID 143214541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).