(4-methoxyphenyl)-(2-nitrocyclohexyl)methanol

C14H19NO4 — CID 586341

IUPAC(4-methoxyphenyl)-(2-nitrocyclohexyl)methanol
SMILESCOc1ccc(C(O)C2CCCCC2[N+](=O)[O-])cc1
InChIInChI=1S/C14H19NO4/c1-19-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15(17)18/h6-9,12-14,16H,2-5H2,1H3
InChIKeyRFNJQNKLEUCCBG-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.56
Rot. Bonds4

About (4-methoxyphenyl)-(2-nitrocyclohexyl)methanol

(4-methoxyphenyl)-(2-nitrocyclohexyl)methanol (PubChem CID 586341) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-nitrocyclohexyl)methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-nitrocyclohexyl)methanol
PubChem CID586341
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(4-methoxyphenyl)-(2-nitrocyclohexyl)methanol
SMILESCOc1ccc(C(O)C2CCCCC2[N+](=O)[O-])cc1
InChIInChI=1S/C14H19NO4/c1-19-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15(17)18/h6-9,12-14,16H,2-5H2,1H3
InChIKeyRFNJQNKLEUCCBG-UHFFFAOYSA-N
XLogP2.56
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.56
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-methoxyphenyl)-(2-methylcyclopentyl)methanol
CID 107181512
(4-methoxyphenyl)-[2-(methylamino)cyclohexyl]methanol
CID 117066669
(S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol
CID 10754804
(4-methoxyphenyl)-(thian-2-yl)methanol
CID 80622350
cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 97063459
ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
CID 142507524
cis-(1S,2R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2-nitrocyclopropane-1-carboxamide
CID 124825504
3-(4-methoxyphenyl)-2,4-dinitrocyclohexan-1-ol
CID 86240008
1-(2,4-dinitropentan-3-yl)-4-methoxybenzene
CID 14176835
(5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one
CID 132579136
(3S,4S,4aR,8aS)-4-(4-methoxyphenyl)-3-nitro-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol
CID 101493454
(2S)-2-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]cyclohexan-1-one
CID 11594291

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2-nitrocyclohexyl)methanol?
The IUPAC name of (4-methoxyphenyl)-(2-nitrocyclohexyl)methanol (CID 586341) is (4-methoxyphenyl)-(2-nitrocyclohexyl)methanol.
What is the SMILES notation for (4-methoxyphenyl)-(2-nitrocyclohexyl)methanol?
The canonical SMILES for (4-methoxyphenyl)-(2-nitrocyclohexyl)methanol is COc1ccc(C(O)C2CCCCC2[N+](=O)[O-])cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-nitrocyclohexyl)methanol?
The InChIKey is RFNJQNKLEUCCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-19-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15(17)18/h6-9,12-14,16H,2-5H2,1H3.
What are the key properties of (4-methoxyphenyl)-(2-nitrocyclohexyl)methanol?
(4-methoxyphenyl)-(2-nitrocyclohexyl)methanol has a molecular weight of 265.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-nitrocyclohexyl)methanol is sourced from PubChem (CID 586341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).