2-(1-cyclohexyl-2-nitroethyl)-6-methoxyphenol

C15H21NO4 — CID 71501343

IUPAC2-(1-cyclohexyl-2-nitroethyl)-6-methoxyphenol
SMILESCOc1cccc(C(C[N+](=O)[O-])C2CCCCC2)c1O
InChIInChI=1S/C15H21NO4/c1-20-14-9-5-8-12(15(14)17)13(10-16(18)19)11-6-3-2-4-7-11/h5,8-9,11,13,17H,2-4,6-7,10H2,1H3
InChIKeyHGGWKRDZZWVAHW-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.34
Rot. Bonds5

About 2-(1-cyclohexyl-2-nitroethyl)-6-methoxyphenol

2-(1-cyclohexyl-2-nitroethyl)-6-methoxyphenol (PubChem CID 71501343) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(1-cyclohexyl-2-nitroethyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(1-cyclohexyl-2-nitroethyl)-6-methoxyphenol
PubChem CID71501343
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(1-cyclohexyl-2-nitroethyl)-6-methoxyphenol
SMILESCOc1cccc(C(C[N+](=O)[O-])C2CCCCC2)c1O
InChIInChI=1S/C15H21NO4/c1-20-14-9-5-8-12(15(14)17)13(10-16(18)19)11-6-3-2-4-7-11/h5,8-9,11,13,17H,2-4,6-7,10H2,1H3
InChIKeyHGGWKRDZZWVAHW-UHFFFAOYSA-N
XLogP3.34
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.34
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

2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
2-methoxy-6-(1-nitro-3-phenylpropan-2-yl)phenol
CID 71501349
2-[3-(hydroxymethyl)-1-nitropentan-2-yl]-6-methoxyphenol
CID 53360978
(1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 97304257
1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011662
3-(1-cyclohexyl-2-nitroethyl)-1H-indole
CID 102184741
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride
CID 171231890
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol
CID 81389459
cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol
CID 82808519
(2-amino-3-methoxyphenyl)-cyclohexylmethanol
CID 105496694
1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011725

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-2-nitroethyl)-6-methoxyphenol?
The IUPAC name of 2-(1-cyclohexyl-2-nitroethyl)-6-methoxyphenol (CID 71501343) is 2-(1-cyclohexyl-2-nitroethyl)-6-methoxyphenol.
What is the SMILES notation for 2-(1-cyclohexyl-2-nitroethyl)-6-methoxyphenol?
The canonical SMILES for 2-(1-cyclohexyl-2-nitroethyl)-6-methoxyphenol is COc1cccc(C(C[N+](=O)[O-])C2CCCCC2)c1O.
What is the InChIKey of 2-(1-cyclohexyl-2-nitroethyl)-6-methoxyphenol?
The InChIKey is HGGWKRDZZWVAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-20-14-9-5-8-12(15(14)17)13(10-16(18)19)11-6-3-2-4-7-11/h5,8-9,11,13,17H,2-4,6-7,10H2,1H3.
What are the key properties of 2-(1-cyclohexyl-2-nitroethyl)-6-methoxyphenol?
2-(1-cyclohexyl-2-nitroethyl)-6-methoxyphenol has a molecular weight of 279.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-2-nitroethyl)-6-methoxyphenol is sourced from PubChem (CID 71501343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).