[2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol

C15H14ClNO4 — CID 114320497

IUPAC[2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
SMILESO=[N+]([O-])c1ccc(CCOc2cccc(Cl)c2CO)cc1
InChIInChI=1S/C15H14ClNO4/c16-14-2-1-3-15(13(14)10-18)21-9-8-11-4-6-12(7-5-11)17(19)20/h1-7,18H,8-10H2
InChIKeyQPERHHUYGLZSPD-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.36
Rot. Bonds6

About [2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol

[2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol (PubChem CID 114320497) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is [2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
PubChem CID114320497
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name[2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
SMILESO=[N+]([O-])c1ccc(CCOc2cccc(Cl)c2CO)cc1
InChIInChI=1S/C15H14ClNO4/c16-14-2-1-3-15(13(14)10-18)21-9-8-11-4-6-12(7-5-11)17(19)20/h1-7,18H,8-10H2
InChIKeyQPERHHUYGLZSPD-UHFFFAOYSA-N
XLogP3.36
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.36
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-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 43520060
[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 114320498
[2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 114320381
1-chloro-2-(chloromethyl)-3-[(4-nitrophenyl)methoxy]benzene
CID 114320815
2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
CID 107713105
[2-chloro-6-(2-chloro-5-nitrophenoxy)phenyl]methanol
CID 63992960
2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol
CID 43520078
[2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol
CID 61031935
1-[2-(4-nitrophenyl)ethoxy]-2-propan-2-ylbenzene
CID 64764022
[3-bromo-2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 61391744
3-chloro-2-[[2-(4-nitrophenyl)ethylamino]methyl]phenol
CID 78960858
[2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol
CID 114525693

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol?
The IUPAC name of [2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol (CID 114320497) is [2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol.
What is the SMILES notation for [2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol?
The canonical SMILES for [2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol is O=[N+]([O-])c1ccc(CCOc2cccc(Cl)c2CO)cc1.
What is the InChIKey of [2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol?
The InChIKey is QPERHHUYGLZSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c16-14-2-1-3-15(13(14)10-18)21-9-8-11-4-6-12(7-5-11)17(19)20/h1-7,18H,8-10H2.
What are the key properties of [2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol?
[2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol has a molecular weight of 307.73 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol is sourced from PubChem (CID 114320497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).