9-tert-butylnaphtho[2,3-b][1]benzofuran

C20H18O — CID 164787408

IUPAC9-tert-butylnaphtho[2,3-b][1]benzofuran
SMILESCC(C)(C)c1ccc2cc3oc4ccccc4c3cc2c1
InChIInChI=1S/C20H18O/c1-20(2,3)15-9-8-13-12-19-17(11-14(13)10-15)16-6-4-5-7-18(16)21-19/h4-12H,1-3H3
InChIKeyLZTAHGXELIWBHG-UHFFFAOYSA-N
MW274.36 g/mol
LogP6.04
Rot. Bonds

About 9-tert-butylnaphtho[2,3-b][1]benzofuran

9-tert-butylnaphtho[2,3-b][1]benzofuran (PubChem CID 164787408) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 9-tert-butylnaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name9-tert-butylnaphtho[2,3-b][1]benzofuran
PubChem CID164787408
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name9-tert-butylnaphtho[2,3-b][1]benzofuran
SMILESCC(C)(C)c1ccc2cc3oc4ccccc4c3cc2c1
InChIInChI=1S/C20H18O/c1-20(2,3)15-9-8-13-12-19-17(11-14(13)10-15)16-6-4-5-7-18(16)21-19/h4-12H,1-3H3
InChIKeyLZTAHGXELIWBHG-UHFFFAOYSA-N
XLogP6.04
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.36
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-tert-butyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 118153211
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
8-bromonaphtho[2,3-b][1]benzofuran
CID 154948063
3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran
CID 167154926
9-tert-butyl-23-(4-methoxyphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene
CID 144582555
ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran
CID 142369862
6,22-bis(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene;6,22-di(dibenzofuran-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene;6,22-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene
CID 161409016
2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487
7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 146497236
10-tert-butylnaphtho[2,3-b][1]benzofuran
CID 164787377
3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzofuran-3-yl)-4-methylnaphtho[3,2-b][1]benzofuran-3,8-diamine
CID 139574656
7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-bis(1-phenyldibenzofuran-2-yl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 171728710

Frequently Asked Questions

What is the IUPAC name of 9-tert-butylnaphtho[2,3-b][1]benzofuran?
The IUPAC name of 9-tert-butylnaphtho[2,3-b][1]benzofuran (CID 164787408) is 9-tert-butylnaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 9-tert-butylnaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 9-tert-butylnaphtho[2,3-b][1]benzofuran is CC(C)(C)c1ccc2cc3oc4ccccc4c3cc2c1.
What is the InChIKey of 9-tert-butylnaphtho[2,3-b][1]benzofuran?
The InChIKey is LZTAHGXELIWBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-20(2,3)15-9-8-13-12-19-17(11-14(13)10-15)16-6-4-5-7-18(16)21-19/h4-12H,1-3H3.
What are the key properties of 9-tert-butylnaphtho[2,3-b][1]benzofuran?
9-tert-butylnaphtho[2,3-b][1]benzofuran has a molecular weight of 274.36 g/mol, XLogP of 6.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butylnaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 164787408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).