2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol

C15H14FNO4 — CID 107709582

IUPAC2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol
SMILESCc1cc(Oc2ccc(CCO)cc2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C15H14FNO4/c1-10-8-15(14(17(19)20)9-13(10)16)21-12-4-2-11(3-5-12)6-7-18/h2-5,8-9,18H,6-7H2,1H3
InChIKeyCPWWMPPERGNOSQ-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.37
Rot. Bonds5

About 2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol

2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol (PubChem CID 107709582) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol
PubChem CID107709582
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol
SMILESCc1cc(Oc2ccc(CCO)cc2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C15H14FNO4/c1-10-8-15(14(17(19)20)9-13(10)16)21-12-4-2-11(3-5-12)6-7-18/h2-5,8-9,18H,6-7H2,1H3
InChIKeyCPWWMPPERGNOSQ-UHFFFAOYSA-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

2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol
CID 107709663
[4-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 79869582
3-(4-fluoro-5-methyl-2-nitrophenoxy)aniline
CID 103594291
1-(3-bromo-5-fluorophenoxy)-4-fluoro-5-methyl-2-nitrobenzene
CID 103591304
2-[4-[(3-nitro-4-pyridinyl)oxy]phenyl]ethanol
CID 107709588
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
4-[4-(chloromethyl)-2-nitrophenoxy]-2-fluoro-1-methylbenzene
CID 107169704
1-bromo-2-fluoro-5-(4-methylphenoxy)-4-nitrobenzene
CID 118684340
2-(4-fluoro-3-nitrophenyl)ethanol
CID 11252405
O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride
CID 162421806
1,2-dimethyl-4-nitro-5-phenoxybenzene
CID 12887119
1-bromo-5-(4-bromo-3-methylphenoxy)-2-fluoro-4-nitrobenzene
CID 116736759

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol?
The IUPAC name of 2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol (CID 107709582) is 2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for 2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for 2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol is Cc1cc(Oc2ccc(CCO)cc2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol?
The InChIKey is CPWWMPPERGNOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-10-8-15(14(17(19)20)9-13(10)16)21-12-4-2-11(3-5-12)6-7-18/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of 2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol?
2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)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 2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 107709582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).