(1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol

C15H14FNO4 — CID 107349867

IUPAC(1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCc2cccc([N+](=O)[O-])c2F)cc1
InChIInChI=1S/C15H14FNO4/c1-10(18)11-5-7-13(8-6-11)21-9-12-3-2-4-14(15(12)16)17(19)20/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyKIOODXFHGAIPIA-SNVBAGLBSA-N
MW291.28 g/mol
LogP3.37
Rot. Bonds5

About (1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol

(1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol (PubChem CID 107349867) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is (1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol
PubChem CID107349867
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name(1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCc2cccc([N+](=O)[O-])c2F)cc1
InChIInChI=1S/C15H14FNO4/c1-10(18)11-5-7-13(8-6-11)21-9-12-3-2-4-14(15(12)16)17(19)20/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyKIOODXFHGAIPIA-SNVBAGLBSA-N
XLogP3.37
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.37
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

1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone
CID 107349549
2-fluoro-1-[(4-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348730
2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene
CID 107348619
1-[4-[(2-methyl-3-nitrophenyl)methoxy]phenyl]ethanamine
CID 60877871
1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
CID 104831899
[5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine
CID 107348052
2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
2-fluoro-1-[(2-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348729
2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid
CID 115462467
1-[[2-bromo-6-(bromomethyl)phenoxy]methyl]-2-fluoro-3-nitrobenzene
CID 107349915
1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethanol
CID 62196202
3-[(2-fluoro-3-nitrophenyl)methyl]pentan-2-ol
CID 107350511

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol (CID 107349867) is (1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol is C[C@@H](O)c1ccc(OCc2cccc([N+](=O)[O-])c2F)cc1.
What is the InChIKey of (1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol?
The InChIKey is KIOODXFHGAIPIA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-10(18)11-5-7-13(8-6-11)21-9-12-3-2-4-14(15(12)16)17(19)20/h2-8,10,18H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol?
(1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol has a molecular weight of 291.28 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107349867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).