1-naphtho[2,1-b][1]benzofuran-9-ylethanone

C18H12O2 — CID 170226949

IUPAC1-naphtho[2,1-b][1]benzofuran-9-ylethanone
SMILESCC(=O)c1ccc2c(c1)oc1ccc3ccccc3c12
InChIInChI=1S/C18H12O2/c1-11(19)13-6-8-15-17(10-13)20-16-9-7-12-4-2-3-5-14(12)18(15)16/h2-10H,1H3
InChIKeyQCSJYJWTERRRRT-UHFFFAOYSA-N
MW260.29 g/mol
LogP4.94
Rot. Bonds1

About 1-naphtho[2,1-b][1]benzofuran-9-ylethanone

1-naphtho[2,1-b][1]benzofuran-9-ylethanone (PubChem CID 170226949) has the molecular formula C18H12O2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-naphtho[2,1-b][1]benzofuran-9-ylethanone.

Molecular Properties

Compound Name1-naphtho[2,1-b][1]benzofuran-9-ylethanone
PubChem CID170226949
Molecular FormulaC18H12O2
Molecular Weight260.29 g/mol
Exact Mass260.08
IUPAC Name1-naphtho[2,1-b][1]benzofuran-9-ylethanone
SMILESCC(=O)c1ccc2c(c1)oc1ccc3ccccc3c12
InChIInChI=1S/C18H12O2/c1-11(19)13-6-8-15-17(10-13)20-16-9-7-12-4-2-3-5-14(12)18(15)16/h2-10H,1H3
InChIKeyQCSJYJWTERRRRT-UHFFFAOYSA-N
XLogP4.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
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
1-(9-sulfanylidenexanthen-2-yl)ethanone
CID 88754830
9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran
CID 123472121
anthra[2,1-b][1]benzofuran
CID 59403890
2-chloro-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 147220347
11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene
CID 164966033
9-fluorobenzo[a]xanthen-12-one
CID 135193713
12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-5-amine
CID 176729847
dibenzofuran-3-carboxylate
CID 51860493
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

Frequently Asked Questions

What is the IUPAC name of 1-naphtho[2,1-b][1]benzofuran-9-ylethanone?
The IUPAC name of 1-naphtho[2,1-b][1]benzofuran-9-ylethanone (CID 170226949) is 1-naphtho[2,1-b][1]benzofuran-9-ylethanone.
What is the SMILES notation for 1-naphtho[2,1-b][1]benzofuran-9-ylethanone?
The canonical SMILES for 1-naphtho[2,1-b][1]benzofuran-9-ylethanone is CC(=O)c1ccc2c(c1)oc1ccc3ccccc3c12.
What is the InChIKey of 1-naphtho[2,1-b][1]benzofuran-9-ylethanone?
The InChIKey is QCSJYJWTERRRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2/c1-11(19)13-6-8-15-17(10-13)20-16-9-7-12-4-2-3-5-14(12)18(15)16/h2-10H,1H3.
What are the key properties of 1-naphtho[2,1-b][1]benzofuran-9-ylethanone?
1-naphtho[2,1-b][1]benzofuran-9-ylethanone has a molecular weight of 260.29 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphtho[2,1-b][1]benzofuran-9-ylethanone is sourced from PubChem (CID 170226949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).