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

C14H12ClNO5 — CID 114846138

IUPAC[5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol
SMILESCOc1ccc(Oc2ccc(Cl)cc2CO)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12ClNO5/c1-20-11-3-5-14(12(7-11)16(18)19)21-13-4-2-10(15)6-9(13)8-17/h2-7,17H,8H2,1H3
InChIKeyBTDCTYBZXRCSEP-UHFFFAOYSA-N
MW309.71 g/mol
LogP3.54
Rot. Bonds5

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

[5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol (PubChem CID 114846138) has the molecular formula C14H12ClNO5 and a molecular weight of 309.71 g/mol. Its IUPAC name is [5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol
PubChem CID114846138
Molecular FormulaC14H12ClNO5
Molecular Weight309.71 g/mol
Exact Mass309.04
IUPAC Name[5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol
SMILESCOc1ccc(Oc2ccc(Cl)cc2CO)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12ClNO5/c1-20-11-3-5-14(12(7-11)16(18)19)21-13-4-2-10(15)6-9(13)8-17/h2-7,17H,8H2,1H3
InChIKeyBTDCTYBZXRCSEP-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanamine
CID 114856709
2-[4-chloro-2-(chloromethyl)phenoxy]-4-methoxy-1-nitrobenzene
CID 102702832
[2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol
CID 103483384
[5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201816
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene
CID 55502713
[4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol
CID 62122577
4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene
CID 7714405
[2-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 62304673
[5-chloro-2-(2-methoxyphenoxy)phenyl]methanol
CID 114846046
[4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol
CID 110005212
[4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol
CID 28964082

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol?
The IUPAC name of [5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol (CID 114846138) is [5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol is COc1ccc(Oc2ccc(Cl)cc2CO)c([N+](=O)[O-])c1.
What is the InChIKey of [5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol?
The InChIKey is BTDCTYBZXRCSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO5/c1-20-11-3-5-14(12(7-11)16(18)19)21-13-4-2-10(15)6-9(13)8-17/h2-7,17H,8H2,1H3.
What are the key properties of [5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol?
[5-chloro-2-(4-methoxy-2-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 [5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol is sourced from PubChem (CID 114846138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).