anthra[2,1-b][1]benzofuran

C20H12O — CID 59403890

IUPACanthra[2,1-b][1]benzofuran
SMILESc1ccc2cc3c(ccc4oc5ccccc5c43)cc2c1
InChIInChI=1S/C20H12O/c1-2-6-14-12-17-15(11-13(14)5-1)9-10-19-20(17)16-7-3-4-8-18(16)21-19/h1-12H
InChIKeyPVOVXJWDTWQDOH-UHFFFAOYSA-N
MW268.31 g/mol
LogP5.89
Rot. Bonds

About anthra[2,1-b][1]benzofuran

anthra[2,1-b][1]benzofuran (PubChem CID 59403890) has the molecular formula C20H12O and a molecular weight of 268.31 g/mol. Its IUPAC name is anthra[2,1-b][1]benzofuran.

Molecular Properties

Compound Nameanthra[2,1-b][1]benzofuran
PubChem CID59403890
Molecular FormulaC20H12O
Molecular Weight268.31 g/mol
Exact Mass268.09
IUPAC Nameanthra[2,1-b][1]benzofuran
SMILESc1ccc2cc3c(ccc4oc5ccccc5c43)cc2c1
InChIInChI=1S/C20H12O/c1-2-6-14-12-17-15(11-13(14)5-1)9-10-19-20(17)16-7-3-4-8-18(16)21-19/h1-12H
InChIKeyPVOVXJWDTWQDOH-UHFFFAOYSA-N
XLogP5.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.31
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 126718289
3-bromoanthra[2,1-b][1]benzofuran
CID 89117267
ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran
CID 142369862
22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 178088617
18-(4-anthracen-9-ylnaphthalen-1-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 130213555
6-(10-naphthalen-2-ylanthracen-9-yl)-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 130212342
2-chrysen-2-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 168739839
17-ethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17,20-decaene
CID 89117321
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
9-(10-benzo[a]anthracen-4-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 135252309
N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616843
11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran
CID 177072140

Frequently Asked Questions

What is the IUPAC name of anthra[2,1-b][1]benzofuran?
The IUPAC name of anthra[2,1-b][1]benzofuran (CID 59403890) is anthra[2,1-b][1]benzofuran.
What is the SMILES notation for anthra[2,1-b][1]benzofuran?
The canonical SMILES for anthra[2,1-b][1]benzofuran is c1ccc2cc3c(ccc4oc5ccccc5c43)cc2c1.
What is the InChIKey of anthra[2,1-b][1]benzofuran?
The InChIKey is PVOVXJWDTWQDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O/c1-2-6-14-12-17-15(11-13(14)5-1)9-10-19-20(17)16-7-3-4-8-18(16)21-19/h1-12H.
What are the key properties of anthra[2,1-b][1]benzofuran?
anthra[2,1-b][1]benzofuran has a molecular weight of 268.31 g/mol, XLogP of 5.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthra[2,1-b][1]benzofuran is sourced from PubChem (CID 59403890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).