1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran

C17H10BrClO2 — CID 162733199

IUPAC1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran
SMILESCOc1ccc2cc3oc4cccc(Br)c4c3c(Cl)c2c1
InChIInChI=1S/C17H10BrClO2/c1-20-10-6-5-9-7-14-16(17(19)11(9)8-10)15-12(18)3-2-4-13(15)21-14/h2-8H,1H3
InChIKeyIXTBYEOZMLKLQC-UHFFFAOYSA-N
MW361.62 g/mol
LogP6.16
Rot. Bonds1

About 1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran

1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran (PubChem CID 162733199) has the molecular formula C17H10BrClO2 and a molecular weight of 361.62 g/mol. Its IUPAC name is 1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran
PubChem CID162733199
Molecular FormulaC17H10BrClO2
Molecular Weight361.62 g/mol
Exact Mass359.96
IUPAC Name1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran
SMILESCOc1ccc2cc3oc4cccc(Br)c4c3c(Cl)c2c1
InChIInChI=1S/C17H10BrClO2/c1-20-10-6-5-9-7-14-16(17(19)11(9)8-10)15-12(18)3-2-4-13(15)21-14/h2-8H,1H3
InChIKeyIXTBYEOZMLKLQC-UHFFFAOYSA-N
XLogP6.16
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.62
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-chloro-2-methoxyanthracene
CID 139968553
9-bromo-2-methoxyanthracene
CID 11011618
5,16-dimethoxy-9,20-dioxaheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10,12,14(28),15,17,19(27),21,23,25-tridecaene
CID 53382046
1-chloro-7-methoxy-3-methylnaphthalene
CID 10703511
3-bromo-11-chloronaphtho[2,3-b][1]benzofuran
CID 163787145
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran
CID 177459326
3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran
CID 89479970
2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan
CID 63443265
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
1-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one
CID 171936004
11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran
CID 171588874

Frequently Asked Questions

What is the IUPAC name of 1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran?
The IUPAC name of 1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran (CID 162733199) is 1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran is COc1ccc2cc3oc4cccc(Br)c4c3c(Cl)c2c1.
What is the InChIKey of 1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran?
The InChIKey is IXTBYEOZMLKLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClO2/c1-20-10-6-5-9-7-14-16(17(19)11(9)8-10)15-12(18)3-2-4-13(15)21-14/h2-8H,1H3.
What are the key properties of 1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran?
1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran has a molecular weight of 361.62 g/mol, XLogP of 6.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 162733199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).