1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene

C248H238O20 — CID 160925988

IUPAC1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene
SMILESC1=Cc2ccccc2C1.CC(=O)Oc1ccc2c(c1)C=CC2.CC(=O)Oc1ccc2c(c1)CC=C2.CC(=O)Oc1cccc2c1C=CC2.CC(=O)Oc1cccc2c1CC=C2.CCc1ccc2c(c1)C=CC2.CCc1ccc2c(c1)CC=C2.CCc1cccc2c1C=CC2.CCc1cccc2c1CC=C2.COc1ccc2c(c1)C=CC2.COc1ccc2c(c1)CC=C2.COc1cccc2c1C=CC2.COc1cccc2c1CC=C2.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)CC=C2.Cc1ccc2ccoc2c1.Cc1ccc2occc2c1.Cc1cccc2c1C=CC2.Cc1cccc2c1CC=C2.Cc1cccc2occc12.Oc1ccc2c(c1)C=CC2.Oc1ccc2c(c1)CC=C2.Oc1cccc2c1C=CC2.Oc1cccc2c1CC=C2.c1ccc2occc2c1
InChIInChI=1S/4C11H10O2.4C11H12.4C10H10O.4C10H10.7C9H8O.C9H8.C8H6O/c2*1-8(12)13-11-7-3-5-9-4-2-6-10(9)11;2*1-8(12)13-11-6-5-9-3-2-4-10(9)7-11;2*1-2-9-5-3-6-10-7-4-8-11(9)10;2*1-2-9-6-7-10-4-3-5-11(10)8-9;2*1-11-10-7-3-5-8-4-2-6-9(8)10;2*1-11-10-6-5-8-3-2-4-9(8)7-10;2*1-8-4-2-5-9-6-3-7-10(8)9;2*1-8-5-6-9-3-2-4-10(9)7-8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-3-2-4-9-8(7)5-6-10-9;2*10-9-6-2-4-7-3-1-5-8(7)9;2*10-9-5-4-7-2-1-3-8(7)6-9;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8/h2-3,5-7H,4H2,1H3;2-5,7H,6H2,1H3;2,4-7H,3H2,1H3;2-3,5-7H,4H2,1H3;3-6,8H,2,7H2,1H3;3-7H,2,8H2,1H3;3,5-8H,2,4H2,1H3;3-4,6-8H,2,5H2,1H3;2-3,5-7H,4H2,1H3;2-5,7H,6H2,1H3;2,4-7H,3H2,1H3;2-3,5-7H,4H2,1H3;2-5,7H,6H2,1H3;2-6H,7H2,1H3;2,4-7H,3H2,1H3;2-3,5-7H,4H2,1H3;3*2-6H,1H3;1-2,4-6,10H,3H2;1-4,6,10H,5H2;1,3-6,10H,2H2;1-2,4-6,10H,3H2;1-6H,7H2;1-6H
InChIKeySSQKMNCSJOCAHW-UHFFFAOYSA-N
MW3538.61 g/mol
LogP60.07
Rot. Bonds12

About 1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene

1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene (PubChem CID 160925988) has the molecular formula C248H238O20 and a molecular weight of 3538.61 g/mol. Its IUPAC name is 1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene.

Molecular Properties

Compound Name1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene
PubChem CID160925988
Molecular FormulaC248H238O20
Molecular Weight3538.61 g/mol
Exact Mass3535.76
IUPAC Name1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene
SMILESC1=Cc2ccccc2C1.CC(=O)Oc1ccc2c(c1)C=CC2.CC(=O)Oc1ccc2c(c1)CC=C2.CC(=O)Oc1cccc2c1C=CC2.CC(=O)Oc1cccc2c1CC=C2.CCc1ccc2c(c1)C=CC2.CCc1ccc2c(c1)CC=C2.CCc1cccc2c1C=CC2.CCc1cccc2c1CC=C2.COc1ccc2c(c1)C=CC2.COc1ccc2c(c1)CC=C2.COc1cccc2c1C=CC2.COc1cccc2c1CC=C2.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)CC=C2.Cc1ccc2ccoc2c1.Cc1ccc2occc2c1.Cc1cccc2c1C=CC2.Cc1cccc2c1CC=C2.Cc1cccc2occc12.Oc1ccc2c(c1)C=CC2.Oc1ccc2c(c1)CC=C2.Oc1cccc2c1C=CC2.Oc1cccc2c1CC=C2.c1ccc2occc2c1
InChIInChI=1S/4C11H10O2.4C11H12.4C10H10O.4C10H10.7C9H8O.C9H8.C8H6O/c2*1-8(12)13-11-7-3-5-9-4-2-6-10(9)11;2*1-8(12)13-11-6-5-9-3-2-4-10(9)7-11;2*1-2-9-5-3-6-10-7-4-8-11(9)10;2*1-2-9-6-7-10-4-3-5-11(10)8-9;2*1-11-10-7-3-5-8-4-2-6-9(8)10;2*1-11-10-6-5-8-3-2-4-9(8)7-10;2*1-8-4-2-5-9-6-3-7-10(8)9;2*1-8-5-6-9-3-2-4-10(9)7-8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-3-2-4-9-8(7)5-6-10-9;2*10-9-6-2-4-7-3-1-5-8(7)9;2*10-9-5-4-7-2-1-3-8(7)6-9;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8/h2-3,5-7H,4H2,1H3;2-5,7H,6H2,1H3;2,4-7H,3H2,1H3;2-3,5-7H,4H2,1H3;3-6,8H,2,7H2,1H3;3-7H,2,8H2,1H3;3,5-8H,2,4H2,1H3;3-4,6-8H,2,5H2,1H3;2-3,5-7H,4H2,1H3;2-5,7H,6H2,1H3;2,4-7H,3H2,1H3;2-3,5-7H,4H2,1H3;2-5,7H,6H2,1H3;2-6H,7H2,1H3;2,4-7H,3H2,1H3;2-3,5-7H,4H2,1H3;3*2-6H,1H3;1-2,4-6,10H,3H2;1-4,6,10H,5H2;1,3-6,10H,2H2;1-2,4-6,10H,3H2;1-6H,7H2;1-6H
InChIKeySSQKMNCSJOCAHW-UHFFFAOYSA-N
XLogP60.07
TPSA275.60 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003538.61
LogP ≤ 560.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene?
The IUPAC name of 1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene (CID 160925988) is 1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene.
What is the SMILES notation for 1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene?
The canonical SMILES for 1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene is C1=Cc2ccccc2C1.CC(=O)Oc1ccc2c(c1)C=CC2.CC(=O)Oc1ccc2c(c1)CC=C2.CC(=O)Oc1cccc2c1C=CC2.CC(=O)Oc1cccc2c1CC=C2.CCc1ccc2c(c1)C=CC2.CCc1ccc2c(c1)CC=C2.CCc1cccc2c1C=CC2.CCc1cccc2c1CC=C2.COc1ccc2c(c1)C=CC2.COc1ccc2c(c1)CC=C2.COc1cccc2c1C=CC2.COc1cccc2c1CC=C2.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)CC=C2.Cc1ccc2ccoc2c1.Cc1ccc2occc2c1.Cc1cccc2c1C=CC2.Cc1cccc2c1CC=C2.Cc1cccc2occc12.Oc1ccc2c(c1)C=CC2.Oc1ccc2c(c1)CC=C2.Oc1cccc2c1C=CC2.Oc1cccc2c1CC=C2.c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene?
The InChIKey is SSQKMNCSJOCAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H10O2.4C11H12.4C10H10O.4C10H10.7C9H8O.C9H8.C8H6O/c2*1-8(12)13-11-7-3-5-9-4-2-6-10(9)11;2*1-8(12)13-11-6-5-9-3-2-4-10(9)7-11;2*1-2-9-5-3-6-10-7-4-8-11(9)10;2*1-2-9-6-7-10-4-3-5-11(10)8-9;2*1-11-10-7-3-5-8-4-2-6-9(8)10;2*1-11-10-6-5-8-3-2-4-9(8)7-10;2*1-8-4-2-5-9-6-3-7-10(8)9;2*1-8-5-6-9-3-2-4-10(9)7-8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-3-2-4-9-8(7)5-6-10-9;2*10-9-6-2-4-7-3-1-5-8(7)9;2*10-9-5-4-7-2-1-3-8(7)6-9;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8/h2-3,5-7H,4H2,1H3;2-5,7H,6H2,1H3;2,4-7H,3H2,1H3;2-3,5-7H,4H2,1H3;3-6,8H,2,7H2,1H3;3-7H,2,8H2,1H3;3,5-8H,2,4H2,1H3;3-4,6-8H,2,5H2,1H3;2-3,5-7H,4H2,1H3;2-5,7H,6H2,1H3;2,4-7H,3H2,1H3;2-3,5-7H,4H2,1H3;2-5,7H,6H2,1H3;2-6H,7H2,1H3;2,4-7H,3H2,1H3;2-3,5-7H,4H2,1H3;3*2-6H,1H3;1-2,4-6,10H,3H2;1-4,6,10H,5H2;1,3-6,10H,2H2;1-2,4-6,10H,3H2;1-6H,7H2;1-6H.
What are the key properties of 1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene?
1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene has a molecular weight of 3538.61 g/mol, XLogP of 60.07, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene is sourced from PubChem (CID 160925988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).