[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol

C12H11BrO3 — CID 107622909

IUPAC[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol
SMILESCOc1cc(-c2ccc(CO)o2)ccc1Br
InChIInChI=1S/C12H11BrO3/c1-15-12-6-8(2-4-10(12)13)11-5-3-9(7-14)16-11/h2-6,14H,7H2,1H3
InChIKeyHBINUUQRAYTFOL-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.21
Rot. Bonds3

About [5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol

[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol (PubChem CID 107622909) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is [5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol
PubChem CID107622909
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol
SMILESCOc1cc(-c2ccc(CO)o2)ccc1Br
InChIInChI=1S/C12H11BrO3/c1-15-12-6-8(2-4-10(12)13)11-5-3-9(7-14)16-11/h2-6,14H,7H2,1H3
InChIKeyHBINUUQRAYTFOL-UHFFFAOYSA-N
XLogP3.21
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine
CID 107622701
N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 107622707
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
CID 28667739
3,5-dibromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-2-iodobenzamide
CID 43866247
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide
CID 28666764
[5-(3-amino-4-methylphenyl)furan-2-yl]methanol
CID 2987173
[4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol
CID 163843794
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 28674937
[5-(2,4,6-tribromophenyl)furan-2-yl]methanol
CID 60895636
[5-(4-ethylphenyl)furan-2-yl]methanol
CID 60894732
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide
CID 168653185
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207474

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol?
The IUPAC name of [5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol (CID 107622909) is [5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol?
The canonical SMILES for [5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol is COc1cc(-c2ccc(CO)o2)ccc1Br.
What is the InChIKey of [5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol?
The InChIKey is HBINUUQRAYTFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO3/c1-15-12-6-8(2-4-10(12)13)11-5-3-9(7-14)16-11/h2-6,14H,7H2,1H3.
What are the key properties of [5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol?
[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol has a molecular weight of 283.12 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol is sourced from PubChem (CID 107622909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).