[2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol

C14H11Cl2NO4 — CID 107306792

IUPAC[2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(OCc2cccc(Cl)c2Cl)c(CO)c1
InChIInChI=1S/C14H11Cl2NO4/c15-12-3-1-2-9(14(12)16)8-21-13-5-4-11(17(19)20)6-10(13)7-18/h1-6,18H,7-8H2
InChIKeyFNEOCBITIRQFER-UHFFFAOYSA-N
MW328.15 g/mol
LogP3.97
Rot. Bonds5

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

[2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol (PubChem CID 107306792) has the molecular formula C14H11Cl2NO4 and a molecular weight of 328.15 g/mol. Its IUPAC name is [2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol
PubChem CID107306792
Molecular FormulaC14H11Cl2NO4
Molecular Weight328.15 g/mol
Exact Mass327.01
IUPAC Name[2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(OCc2cccc(Cl)c2Cl)c(CO)c1
InChIInChI=1S/C14H11Cl2NO4/c15-12-3-1-2-9(14(12)16)8-21-13-5-4-11(17(19)20)6-10(13)7-18/h1-6,18H,7-8H2
InChIKeyFNEOCBITIRQFER-UHFFFAOYSA-N
XLogP3.97
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 53.97
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-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472956
[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 60889382
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
[2-[(3,5-dimethylphenyl)methoxy]-5-nitrophenyl]methanol
CID 61029024
[2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol
CID 43472911
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743
2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 43472920
[2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472893
[2-(hydroxymethyl)-4-nitrophenyl] 2-chloro-6-fluorobenzoate
CID 165354265
[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol
CID 28964238
1-[(2-bromophenyl)methoxy]-2-chloro-4-nitrobenzene
CID 54129190
1-bromo-2-[(2-chlorophenyl)methoxy]-4-nitrobenzene
CID 25235955

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol?
The IUPAC name of [2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol (CID 107306792) is [2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol.
What is the SMILES notation for [2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol?
The canonical SMILES for [2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol is O=[N+]([O-])c1ccc(OCc2cccc(Cl)c2Cl)c(CO)c1.
What is the InChIKey of [2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol?
The InChIKey is FNEOCBITIRQFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4/c15-12-3-1-2-9(14(12)16)8-21-13-5-4-11(17(19)20)6-10(13)7-18/h1-6,18H,7-8H2.
What are the key properties of [2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol?
[2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol has a molecular weight of 328.15 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol is sourced from PubChem (CID 107306792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).