[4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol

C14H12ClNO5 — CID 114846141

IUPAC[4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol
SMILESCOc1ccc([N+](=O)[O-])cc1Oc1cc(Cl)ccc1CO
InChIInChI=1S/C14H12ClNO5/c1-20-12-5-4-11(16(18)19)7-14(12)21-13-6-10(15)3-2-9(13)8-17/h2-7,17H,8H2,1H3
InChIKeyAHJDKGXOMUCEII-UHFFFAOYSA-N
MW309.71 g/mol
LogP3.54
Rot. Bonds5

About [4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol

[4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol (PubChem CID 114846141) has the molecular formula C14H12ClNO5 and a molecular weight of 309.71 g/mol. Its IUPAC name is [4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol
PubChem CID114846141
Molecular FormulaC14H12ClNO5
Molecular Weight309.71 g/mol
Exact Mass309.04
IUPAC Name[4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol
SMILESCOc1ccc([N+](=O)[O-])cc1Oc1cc(Cl)ccc1CO
InChIInChI=1S/C14H12ClNO5/c1-20-12-5-4-11(16(18)19)7-14(12)21-13-6-10(15)3-2-9(13)8-17/h2-7,17H,8H2,1H3
InChIKeyAHJDKGXOMUCEII-UHFFFAOYSA-N
XLogP3.54
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanamine
CID 114856723
5-chloro-2-(2-methoxy-5-nitrophenoxy)benzonitrile
CID 62493404
[2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol
CID 61031935
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene
CID 61031938
[4-bromo-2-(2-methoxy-5-nitrophenoxy)phenyl]methanamine
CID 61032055
1-bromo-2-[2-(bromomethyl)-5-chlorophenoxy]-4-nitrobenzene
CID 107089374
2-[4-chloro-2-(2-cyano-4-nitrophenoxy)phenoxy]-5-nitrobenzonitrile
CID 74762646
[5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol
CID 114846138
[2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol
CID 43622036
2-chloro-1-[4-chloro-2-(chloromethyl)phenoxy]-4-nitrobenzene
CID 114847061
[2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 61030555

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol?
The IUPAC name of [4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol (CID 114846141) is [4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol.
What is the SMILES notation for [4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol?
The canonical SMILES for [4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol is COc1ccc([N+](=O)[O-])cc1Oc1cc(Cl)ccc1CO.
What is the InChIKey of [4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol?
The InChIKey is AHJDKGXOMUCEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO5/c1-20-12-5-4-11(16(18)19)7-14(12)21-13-6-10(15)3-2-9(13)8-17/h2-7,17H,8H2,1H3.
What are the key properties of [4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol?
[4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol has a molecular weight of 309.71 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol is sourced from PubChem (CID 114846141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).