9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one

C17H11BrO5 — CID 11440255

IUPAC9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one
SMILESCOc1ccc2c(=O)c3oc4c(Br)cc(OC)cc4c3oc2c1
InChIInChI=1S/C17H11BrO5/c1-20-8-3-4-10-13(7-8)22-16-11-5-9(21-2)6-12(18)15(11)23-17(16)14(10)19/h3-7H,1-2H3
InChIKeySMDPLZRJABPNIL-UHFFFAOYSA-N
MW375.17 g/mol
LogP4.47
Rot. Bonds2

About 9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one

9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one (PubChem CID 11440255) has the molecular formula C17H11BrO5 and a molecular weight of 375.17 g/mol. Its IUPAC name is 9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one.

Molecular Properties

Compound Name9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one
PubChem CID11440255
Molecular FormulaC17H11BrO5
Molecular Weight375.17 g/mol
Exact Mass373.98
IUPAC Name9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one
SMILESCOc1ccc2c(=O)c3oc4c(Br)cc(OC)cc4c3oc2c1
InChIInChI=1S/C17H11BrO5/c1-20-8-3-4-10-13(7-8)22-16-11-5-9(21-2)6-12(18)15(11)23-17(16)14(10)19/h3-7H,1-2H3
InChIKeySMDPLZRJABPNIL-UHFFFAOYSA-N
XLogP4.47
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.17
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618
2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 10619458
8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one
CID 118101187
2-ethyl-7-methoxychromen-4-one
CID 10013150
9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 131750884
7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol
CID 101286257
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 10807373
3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one
CID 86225439
4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one
CID 118609362
3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005
3,9-dimethoxy-5-methyl-[1]benzofuro[3,2-c]quinolin-6-one
CID 2794540
5-(bromomethyl)-7-methoxychromen-2-one
CID 11737276

Frequently Asked Questions

What is the IUPAC name of 9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one?
The IUPAC name of 9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one (CID 11440255) is 9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one.
What is the SMILES notation for 9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one?
The canonical SMILES for 9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one is COc1ccc2c(=O)c3oc4c(Br)cc(OC)cc4c3oc2c1.
What is the InChIKey of 9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one?
The InChIKey is SMDPLZRJABPNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO5/c1-20-8-3-4-10-13(7-8)22-16-11-5-9(21-2)6-12(18)15(11)23-17(16)14(10)19/h3-7H,1-2H3.
What are the key properties of 9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one?
9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one has a molecular weight of 375.17 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one is sourced from PubChem (CID 11440255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).