5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid

C16H11BrO4 — CID 106947224

IUPAC5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)c2ccc3cc(Br)ccc3c2)o1
InChIInChI=1S/C16H11BrO4/c17-12-4-3-9-7-11(2-1-10(9)8-12)15(18)13-5-6-14(21-13)16(19)20/h1-8,15,18H,(H,19,20)
InChIKeyRMPDJDOPFLLVKD-UHFFFAOYSA-N
MW347.16 g/mol
LogP3.98
Rot. Bonds3

About 5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid

5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid (PubChem CID 106947224) has the molecular formula C16H11BrO4 and a molecular weight of 347.16 g/mol. Its IUPAC name is 5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid
PubChem CID106947224
Molecular FormulaC16H11BrO4
Molecular Weight347.16 g/mol
Exact Mass345.98
IUPAC Name5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)c2ccc3cc(Br)ccc3c2)o1
InChIInChI=1S/C16H11BrO4/c17-12-4-3-9-7-11(2-1-10(9)8-12)15(18)13-5-6-14(21-13)16(19)20/h1-8,15,18H,(H,19,20)
InChIKeyRMPDJDOPFLLVKD-UHFFFAOYSA-N
XLogP3.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chloro-4-methylphenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106946508
5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947249
5-[hydroxy-(4-methylsulfonylphenyl)methyl]furan-2-carboxylic acid
CID 106947214
5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid
CID 106945921
1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol
CID 115354460
5-[1-(4-bromophenoxy)ethyl]furan-2-carboxylic acid
CID 22684931
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
(6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 115798794
5-(4-bromophenoxy)furan-2-carboxylic acid
CID 12604895
5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid
CID 106945911
5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylic acid
CID 79084510
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698

Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid (CID 106947224) is 5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid is O=C(O)c1ccc(C(O)c2ccc3cc(Br)ccc3c2)o1.
What is the InChIKey of 5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid?
The InChIKey is RMPDJDOPFLLVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO4/c17-12-4-3-9-7-11(2-1-10(9)8-12)15(18)13-5-6-14(21-13)16(19)20/h1-8,15,18H,(H,19,20).
What are the key properties of 5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid?
5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid has a molecular weight of 347.16 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromonaphthalen-2-yl)-hydroxymethyl]furan-2-carboxylic acid is sourced from PubChem (CID 106947224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).