(5-nitrofuran-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol

C15H15NO4 — CID 61101554

IUPAC(5-nitrofuran-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
SMILESO=[N+]([O-])c1ccc(C(O)c2ccc3c(c2)CCCC3)o1
InChIInChI=1S/C15H15NO4/c17-15(13-7-8-14(20-13)16(18)19)12-6-5-10-3-1-2-4-11(10)9-12/h5-9,15,17H,1-4H2
InChIKeyNVMGXUQHIXNUFI-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.15
Rot. Bonds3

About (5-nitrofuran-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol

(5-nitrofuran-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol (PubChem CID 61101554) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (5-nitrofuran-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(5-nitrofuran-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
PubChem CID61101554
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(5-nitrofuran-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
SMILESO=[N+]([O-])c1ccc(C(O)c2ccc3c(c2)CCCC3)o1
InChIInChI=1S/C15H15NO4/c17-15(13-7-8-14(20-13)16(18)19)12-6-5-10-3-1-2-4-11(10)9-12/h5-9,15,17H,1-4H2
InChIKeyNVMGXUQHIXNUFI-UHFFFAOYSA-N
XLogP3.15
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] 5-nitrofuran-2-carboxylate
CID 8859886
(5-nitrofuran-2-yl)-(2,4,6-trimethylphenyl)methanol
CID 61087360
2,3-dihydro-1H-inden-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61086856
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43482480
2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715
5-[bromo-(5-nitrofuran-2-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 61097187
(2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol
CID 61099625
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012
(S)-cyclobutyl-(5-nitrofuran-2-yl)methanamine;hydrochloride
CID 171217872
nitric acid;1,2,3,4-tetrahydronaphthalene
CID 21399469
5-[chloro-(5-nitrofuran-2-yl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 62325077
2-(2-nitrophenyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 26419609

Frequently Asked Questions

What is the IUPAC name of (5-nitrofuran-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol?
The IUPAC name of (5-nitrofuran-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol (CID 61101554) is (5-nitrofuran-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol.
What is the SMILES notation for (5-nitrofuran-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol?
The canonical SMILES for (5-nitrofuran-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol is O=[N+]([O-])c1ccc(C(O)c2ccc3c(c2)CCCC3)o1.
What is the InChIKey of (5-nitrofuran-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol?
The InChIKey is NVMGXUQHIXNUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-15(13-7-8-14(20-13)16(18)19)12-6-5-10-3-1-2-4-11(10)9-12/h5-9,15,17H,1-4H2.
What are the key properties of (5-nitrofuran-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol?
(5-nitrofuran-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol has a molecular weight of 273.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitrofuran-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol is sourced from PubChem (CID 61101554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).