[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol

C14H12ClNO4 — CID 43472956

IUPAC[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(OCc2cccc(Cl)c2)c(CO)c1
InChIInChI=1S/C14H12ClNO4/c15-12-3-1-2-10(6-12)9-20-14-5-4-13(16(18)19)7-11(14)8-17/h1-7,17H,8-9H2
InChIKeyHYRWMZNMHRPKRE-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.32
Rot. Bonds5

About [2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol

[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol (PubChem CID 43472956) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol
PubChem CID43472956
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(OCc2cccc(Cl)c2)c(CO)c1
InChIInChI=1S/C14H12ClNO4/c15-12-3-1-2-10(6-12)9-20-14-5-4-13(16(18)19)7-11(14)8-17/h1-7,17H,8-9H2
InChIKeyHYRWMZNMHRPKRE-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-[(3-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine
CID 60889197
[2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol
CID 107306792
(1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol
CID 104890071
[5-methoxy-2-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 43267995
[2-[(3,5-dimethylphenyl)methoxy]-5-nitrophenyl]methanol
CID 61029024
[2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol
CID 43472911
[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol
CID 28964238
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
[2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 114320381
5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde
CID 43244315
(1R)-1-[5-chloro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 63364333
[2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol
CID 43622036

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol?
The IUPAC name of [2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol (CID 43472956) is [2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol.
What is the SMILES notation for [2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol?
The canonical SMILES for [2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol is O=[N+]([O-])c1ccc(OCc2cccc(Cl)c2)c(CO)c1.
What is the InChIKey of [2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol?
The InChIKey is HYRWMZNMHRPKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c15-12-3-1-2-10(6-12)9-20-14-5-4-13(16(18)19)7-11(14)8-17/h1-7,17H,8-9H2.
What are the key properties of [2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol?
[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]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-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol is sourced from PubChem (CID 43472956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).