9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran

C19H15BrO — CID 154595903

IUPAC9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran
SMILESCC(C)c1ccc2ccc3c4ccc(Br)cc4oc3c2c1
InChIInChI=1S/C19H15BrO/c1-11(2)13-4-3-12-5-7-16-15-8-6-14(20)10-18(15)21-19(16)17(12)9-13/h3-11H,1-2H3
InChIKeyBGTWLKQQLSVUMT-UHFFFAOYSA-N
MW339.23 g/mol
LogP6.63
Rot. Bonds1

About 9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran

9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran (PubChem CID 154595903) has the molecular formula C19H15BrO and a molecular weight of 339.23 g/mol. Its IUPAC name is 9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran
PubChem CID154595903
Molecular FormulaC19H15BrO
Molecular Weight339.23 g/mol
Exact Mass338.03
IUPAC Name9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran
SMILESCC(C)c1ccc2ccc3c4ccc(Br)cc4oc3c2c1
InChIInChI=1S/C19H15BrO/c1-11(2)13-4-3-12-5-7-16-15-8-6-14(20)10-18(15)21-19(16)17(12)9-13/h3-11H,1-2H3
InChIKeyBGTWLKQQLSVUMT-UHFFFAOYSA-N
XLogP6.63
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.23
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromophenanthro[1,2-b][1]benzofuran
CID 132507376
6-naphthalen-2-yl-3-propan-2-yldibenzofuran
CID 164821911
9-N,9-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
CID 155362187
6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 118149873
9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
CID 155359556
8-N,23-N-bis(3-propan-2-ylphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155361208
1-bromo-3,7-di(propan-2-yl)naphthalene
CID 172853176
3-propan-2-ylchrysene
CID 54288405
4-bromo-2-propan-2-yldibenzofuran
CID 166912960
18-bromo-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130186602
8-N,23-N-bis(4-aminophenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 166898492
3-bromo-2,5-di(propan-2-yl)-1-benzofuran
CID 59463798

Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran?
The IUPAC name of 9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran (CID 154595903) is 9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran is CC(C)c1ccc2ccc3c4ccc(Br)cc4oc3c2c1.
What is the InChIKey of 9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran?
The InChIKey is BGTWLKQQLSVUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO/c1-11(2)13-4-3-12-5-7-16-15-8-6-14(20)10-18(15)21-19(16)17(12)9-13/h3-11H,1-2H3.
What are the key properties of 9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran?
9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran has a molecular weight of 339.23 g/mol, XLogP of 6.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-propan-2-ylnaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 154595903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).