[4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol

C14H12ClNO4 — CID 62122577

IUPAC[4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClNO4/c1-9-6-10(8-17)2-4-13(9)20-14-5-3-11(15)7-12(14)16(18)19/h2-7,17H,8H2,1H3
InChIKeyUNAWHKKJMAOQER-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.84
Rot. Bonds4

About [4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol

[4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol (PubChem CID 62122577) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is [4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol
PubChem CID62122577
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name[4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClNO4/c1-9-6-10(8-17)2-4-13(9)20-14-5-3-11(15)7-12(14)16(18)19/h2-7,17H,8H2,1H3
InChIKeyUNAWHKKJMAOQER-UHFFFAOYSA-N
XLogP3.84
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.84
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

[4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol
CID 28964082
[4-(2,5-dimethyl-4-nitrophenoxy)-3-methylphenyl]methanol
CID 63184821
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
[3-chloro-4-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 81151308
[4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol
CID 28964150
1,2-dichloro-4-[4-(chloromethyl)-2-methylphenoxy]-5-nitrobenzene
CID 107500402
[4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol
CID 107500272
5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine
CID 107086305
[5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol
CID 114846138
[4-[2-(hydroxymethyl)phenoxy]-3-nitrophenyl]methanol
CID 63653967
[4-(4-chloro-2-methylphenoxy)phenyl]methanol
CID 28946141
1-(5-chloro-2-nitrophenoxy)-4-methyl-2-nitrobenzene
CID 133389386

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol?
The IUPAC name of [4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol (CID 62122577) is [4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol.
What is the SMILES notation for [4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol?
The canonical SMILES for [4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol is Cc1cc(CO)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of [4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol?
The InChIKey is UNAWHKKJMAOQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-9-6-10(8-17)2-4-13(9)20-14-5-3-11(15)7-12(14)16(18)19/h2-7,17H,8H2,1H3.
What are the key properties of [4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol?
[4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol has a molecular weight of 293.71 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol is sourced from PubChem (CID 62122577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).