(R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol

C19H13NO4 — CID 100804365

IUPAC(R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol
SMILESO=[N+]([O-])c1cccc([C@@H](O)c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C19H13NO4/c21-19(12-4-3-5-14(10-12)20(22)23)13-8-9-16-15-6-1-2-7-17(15)24-18(16)11-13/h1-11,19,21H/t19-/m1/s1
InChIKeyOMSNDHCXHIQLAU-LJQANCHMSA-N
MW319.32 g/mol
LogP4.58
Rot. Bonds3

About (R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol

(R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol (PubChem CID 100804365) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is (R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol.

Molecular Properties

Compound Name(R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol
PubChem CID100804365
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name(R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol
SMILESO=[N+]([O-])c1cccc([C@@H](O)c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C19H13NO4/c21-19(12-4-3-5-14(10-12)20(22)23)13-8-9-16-15-6-1-2-7-17(15)24-18(16)11-13/h1-11,19,21H/t19-/m1/s1
InChIKeyOMSNDHCXHIQLAU-LJQANCHMSA-N
XLogP4.58
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.58
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

(S)-(3-nitrophenyl)-phenylmethanol
CID 15984760
(S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol
CID 100804335
(R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol
CID 100803950
3-nitroxanthene-9-thione
CID 12998438
(R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol
CID 100803960
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
(1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol
CID 6922856
(R)-dibenzofuran-3-yl-(2,4-dichlorophenyl)methanol
CID 100804352
2-hydroxy-2-(3-nitrophenyl)acetate
CID 19968019
3-(3-nitrophenyl)pentane-2,4-diol
CID 10376360
cyclopropyl(dibenzofuran-3-yl)methanol
CID 114238745
(1S)-2-amino-1-(3-nitrophenyl)ethanol
CID 55264567

Frequently Asked Questions

What is the IUPAC name of (R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol?
The IUPAC name of (R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol (CID 100804365) is (R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol.
What is the SMILES notation for (R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol?
The canonical SMILES for (R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol is O=[N+]([O-])c1cccc([C@@H](O)c2ccc3c(c2)oc2ccccc23)c1.
What is the InChIKey of (R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol?
The InChIKey is OMSNDHCXHIQLAU-LJQANCHMSA-N. The full InChI is InChI=1S/C19H13NO4/c21-19(12-4-3-5-14(10-12)20(22)23)13-8-9-16-15-6-1-2-7-17(15)24-18(16)11-13/h1-11,19,21H/t19-/m1/s1.
What are the key properties of (R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol?
(R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol has a molecular weight of 319.32 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol is sourced from PubChem (CID 100804365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).