[4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol

C13H16ClNO4 — CID 106825751

IUPAC[4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol
SMILESO=[N+]([O-])c1cc(Cl)ccc1OC1CCC(CO)CC1
InChIInChI=1S/C13H16ClNO4/c14-10-3-6-13(12(7-10)15(17)18)19-11-4-1-9(8-16)2-5-11/h3,6-7,9,11,16H,1-2,4-5,8H2
InChIKeyKWTMXOHGEXGXSQ-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.18
Rot. Bonds4

About [4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol

[4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol (PubChem CID 106825751) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is [4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol
PubChem CID106825751
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name[4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol
SMILESO=[N+]([O-])c1cc(Cl)ccc1OC1CCC(CO)CC1
InChIInChI=1S/C13H16ClNO4/c14-10-3-6-13(12(7-10)15(17)18)19-11-4-1-9(8-16)2-5-11/h3,6-7,9,11,16H,1-2,4-5,8H2
InChIKeyKWTMXOHGEXGXSQ-UHFFFAOYSA-N
XLogP3.18
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.18
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-(4-chloro-2-nitrophenoxy)-1-methylpiperidine
CID 130270636
[4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol
CID 106825684
4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene
CID 71758415
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
(5-chloro-2-nitrophenoxy)cycloheptane
CID 82935207
2-(4-chloro-2-nitrophenoxy)acetic acid
CID 715650
3-(4-chloro-2-nitrophenoxy)propan-1-ol
CID 43509924
4-chloro-1-(2-methylprop-2-enoxy)-2-nitrobenzene
CID 46850457
4-bromo-1-cyclobutyloxy-2-nitrobenzene
CID 62141791
methyl 4-(4-chloro-2-nitrophenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 53410464
4-(2,4-dinitrophenoxy)piperidine
CID 62342248
3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine
CID 66352004

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol?
The IUPAC name of [4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol (CID 106825751) is [4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol.
What is the SMILES notation for [4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol?
The canonical SMILES for [4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol is O=[N+]([O-])c1cc(Cl)ccc1OC1CCC(CO)CC1.
What is the InChIKey of [4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol?
The InChIKey is KWTMXOHGEXGXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c14-10-3-6-13(12(7-10)15(17)18)19-11-4-1-9(8-16)2-5-11/h3,6-7,9,11,16H,1-2,4-5,8H2.
What are the key properties of [4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol?
[4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol has a molecular weight of 285.73 g/mol, XLogP of 3.18, 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)cyclohexyl]methanol is sourced from PubChem (CID 106825751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).