5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid

C16H12O4 — CID 91995996

IUPAC5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)c2cccc3ccccc23)o1
InChIInChI=1S/C16H12O4/c17-15(13-8-9-14(20-13)16(18)19)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,15,17H,(H,18,19)
InChIKeyIYQBNEXJUIHTBD-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.21
Rot. Bonds3

About 5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid

5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 91995996) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid
PubChem CID91995996
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)c2cccc3ccccc23)o1
InChIInChI=1S/C16H12O4/c17-15(13-8-9-14(20-13)16(18)19)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,15,17H,(H,18,19)
InChIKeyIYQBNEXJUIHTBD-UHFFFAOYSA-N
XLogP3.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid
CID 106946154
5-naphthalen-1-ylfuran-2-carboxylic acid
CID 43332928
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid
CID 62369627
5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947249
5-[(4-chloro-2-fluorophenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106946463
(S)-(2-bromophenyl)-naphthalen-1-ylmethanol
CID 94601935
(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol
CID 92533915
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
(2R,3R)-3-azaniumyl-2-hydroxy-3-naphthalen-1-ylpropanoate
CID 40787446
furan-3-yl(naphthalen-1-yl)methanol
CID 63894958
5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide
CID 95367180

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid (CID 91995996) is 5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(C(O)c2cccc3ccccc23)o1.
What is the InChIKey of 5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is IYQBNEXJUIHTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-15(13-8-9-14(20-13)16(18)19)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,15,17H,(H,18,19).
What are the key properties of 5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid?
5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 91995996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).