[2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol

C14H12ClNO5 — CID 61031935

IUPAC[2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol
SMILESCOc1ccc([N+](=O)[O-])cc1Oc1cccc(Cl)c1CO
InChIInChI=1S/C14H12ClNO5/c1-20-13-6-5-9(16(18)19)7-14(13)21-12-4-2-3-11(15)10(12)8-17/h2-7,17H,8H2,1H3
InChIKeyHFTQPXRCXWTPHC-UHFFFAOYSA-N
MW309.70 g/mol
LogP3.54
Rot. Bonds5

About [2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol

[2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol (PubChem CID 61031935) has the molecular formula C14H12ClNO5 and a molecular weight of 309.70 g/mol. Its IUPAC name is [2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol
PubChem CID61031935
Molecular FormulaC14H12ClNO5
Molecular Weight309.70 g/mol
Exact Mass309.04
IUPAC Name[2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol
SMILESCOc1ccc([N+](=O)[O-])cc1Oc1cccc(Cl)c1CO
InChIInChI=1S/C14H12ClNO5/c1-20-13-6-5-9(16(18)19)7-14(13)21-12-4-2-3-11(15)10(12)8-17/h2-7,17H,8H2,1H3
InChIKeyHFTQPXRCXWTPHC-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 ≤ 500309.70
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

[2-chloro-6-(2-chloro-5-nitrophenoxy)phenyl]methanol
CID 63992960
[2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110298
[2-chloro-6-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201825
[4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol
CID 114846141
[2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 114320381
[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol
CID 107743505
[2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 61031552
1-chloro-2-(chloromethyl)-3-(2-fluoro-4-nitrophenoxy)benzene
CID 63566971
(1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol
CID 78938858
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
[2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 114320497
2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine
CID 83268776

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol?
The IUPAC name of [2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol (CID 61031935) is [2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol?
The canonical SMILES for [2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol is COc1ccc([N+](=O)[O-])cc1Oc1cccc(Cl)c1CO.
What is the InChIKey of [2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol?
The InChIKey is HFTQPXRCXWTPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO5/c1-20-13-6-5-9(16(18)19)7-14(13)21-12-4-2-3-11(15)10(12)8-17/h2-7,17H,8H2,1H3.
What are the key properties of [2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol?
[2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol has a molecular weight of 309.70 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 [2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol is sourced from PubChem (CID 61031935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).