[2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol

C14H12ClNO4 — CID 114320381

IUPAC[2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol
SMILESO=[N+]([O-])c1cccc(COc2cccc(Cl)c2CO)c1
InChIInChI=1S/C14H12ClNO4/c15-13-5-2-6-14(12(13)8-17)20-9-10-3-1-4-11(7-10)16(18)19/h1-7,17H,8-9H2
InChIKeyWLJOURZIWXUBIJ-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.32
Rot. Bonds5

About [2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol

[2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol (PubChem CID 114320381) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is [2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol
PubChem CID114320381
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name[2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol
SMILESO=[N+]([O-])c1cccc(COc2cccc(Cl)c2CO)c1
InChIInChI=1S/C14H12ClNO4/c15-13-5-2-6-14(12(13)8-17)20-9-10-3-1-4-11(7-10)16(18)19/h1-7,17H,8-9H2
InChIKeyWLJOURZIWXUBIJ-UHFFFAOYSA-N
XLogP3.32
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.32
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

1,2-dichloro-3-[(3-nitrophenyl)methoxy]benzene
CID 112787351
[2-chloro-6-(2-chloro-5-nitrophenoxy)phenyl]methanol
CID 63992960
[2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 114320497
[2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol
CID 61031935
1-chloro-2-(chloromethyl)-3-[(4-nitrophenyl)methoxy]benzene
CID 114320815
2-(2-chlorophenyl)-3-[2-[(3-nitrophenyl)methoxy]phenyl]prop-2-enenitrile
CID 3521578
2-[(3-nitrophenyl)methoxy]aniline
CID 55032299
[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472956
[5-methoxy-2-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 43267995
1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 43503886
5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde
CID 43244315
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol?
The IUPAC name of [2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol (CID 114320381) is [2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol is O=[N+]([O-])c1cccc(COc2cccc(Cl)c2CO)c1.
What is the InChIKey of [2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol?
The InChIKey is WLJOURZIWXUBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c15-13-5-2-6-14(12(13)8-17)20-9-10-3-1-4-11(7-10)16(18)19/h1-7,17H,8-9H2.
What are the key properties of [2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol?
[2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol has a molecular weight of 293.71 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 114320381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).