8-bromo-3-hydroxy-2-[5-(hydroxymethyl)furan-2-yl]-6-methylchromen-4-one

C15H11BrO5 — CID 142662721

IUPAC8-bromo-3-hydroxy-2-[5-(hydroxymethyl)furan-2-yl]-6-methylchromen-4-one
SMILESCc1cc(Br)c2oc(-c3ccc(CO)o3)c(O)c(=O)c2c1
InChIInChI=1S/C15H11BrO5/c1-7-4-9-12(18)13(19)15(21-14(9)10(16)5-7)11-3-2-8(6-17)20-11/h2-5,17,19H,6H2,1H3
InChIKeyMPZHAJXGXNMAOG-UHFFFAOYSA-N
MW351.15 g/mol
LogP3.32
Rot. Bonds2

About 8-bromo-3-hydroxy-2-[5-(hydroxymethyl)furan-2-yl]-6-methylchromen-4-one

8-bromo-3-hydroxy-2-[5-(hydroxymethyl)furan-2-yl]-6-methylchromen-4-one (PubChem CID 142662721) has the molecular formula C15H11BrO5 and a molecular weight of 351.15 g/mol. Its IUPAC name is 8-bromo-3-hydroxy-2-[5-(hydroxymethyl)furan-2-yl]-6-methylchromen-4-one.

Molecular Properties

Compound Name8-bromo-3-hydroxy-2-[5-(hydroxymethyl)furan-2-yl]-6-methylchromen-4-one
PubChem CID142662721
Molecular FormulaC15H11BrO5
Molecular Weight351.15 g/mol
Exact Mass349.98
IUPAC Name8-bromo-3-hydroxy-2-[5-(hydroxymethyl)furan-2-yl]-6-methylchromen-4-one
SMILESCc1cc(Br)c2oc(-c3ccc(CO)o3)c(O)c(=O)c2c1
InChIInChI=1S/C15H11BrO5/c1-7-4-9-12(18)13(19)15(21-14(9)10(16)5-7)11-3-2-8(6-17)20-11/h2-5,17,19H,6H2,1H3
InChIKeyMPZHAJXGXNMAOG-UHFFFAOYSA-N
XLogP3.32
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-amino-4-methylphenyl)furan-2-yl]methanol
CID 2987173
[5-(2,4,6-tribromophenyl)furan-2-yl]methanol
CID 60895636
2-(8-bromo-6-methyl-4-oxochromen-2-yl)ethyl formate
CID 174464243
[5-(5-bromothiophen-2-yl)furan-2-yl]methanol
CID 71530015
[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol
CID 107622909
1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 43155099
2-(2-bromo-4,6-dimethylphenoxy)-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28676626
7-bromo-3-tert-butyl-5-methyl-1-benzofuran-2-carboxylic acid
CID 63487844
5-(3-bromo-2-hydroxy-5-methylphenyl)furan-2-carbaldehyde
CID 169333590
[5-(4-bromo-2-fluorophenyl)furan-2-yl]methanol
CID 28693697
N-[[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624854
4-[5-(hydroxymethyl)furan-2-yl]-3-methylbenzoate
CID 6953179

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-hydroxy-2-[5-(hydroxymethyl)furan-2-yl]-6-methylchromen-4-one?
The IUPAC name of 8-bromo-3-hydroxy-2-[5-(hydroxymethyl)furan-2-yl]-6-methylchromen-4-one (CID 142662721) is 8-bromo-3-hydroxy-2-[5-(hydroxymethyl)furan-2-yl]-6-methylchromen-4-one.
What is the SMILES notation for 8-bromo-3-hydroxy-2-[5-(hydroxymethyl)furan-2-yl]-6-methylchromen-4-one?
The canonical SMILES for 8-bromo-3-hydroxy-2-[5-(hydroxymethyl)furan-2-yl]-6-methylchromen-4-one is Cc1cc(Br)c2oc(-c3ccc(CO)o3)c(O)c(=O)c2c1.
What is the InChIKey of 8-bromo-3-hydroxy-2-[5-(hydroxymethyl)furan-2-yl]-6-methylchromen-4-one?
The InChIKey is MPZHAJXGXNMAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO5/c1-7-4-9-12(18)13(19)15(21-14(9)10(16)5-7)11-3-2-8(6-17)20-11/h2-5,17,19H,6H2,1H3.
What are the key properties of 8-bromo-3-hydroxy-2-[5-(hydroxymethyl)furan-2-yl]-6-methylchromen-4-one?
8-bromo-3-hydroxy-2-[5-(hydroxymethyl)furan-2-yl]-6-methylchromen-4-one has a molecular weight of 351.15 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-hydroxy-2-[5-(hydroxymethyl)furan-2-yl]-6-methylchromen-4-one is sourced from PubChem (CID 142662721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).