4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol

C16H23NO4 — CID 81159014

IUPAC4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(Cc2cc(OC)cc([N+](=O)[O-])c2)C1
InChIInChI=1S/C16H23NO4/c1-3-11-4-5-16(18)13(6-11)7-12-8-14(17(19)20)10-15(9-12)21-2/h8-11,13,16,18H,3-7H2,1-2H3
InChIKeyMOOWHSWPWVUJHZ-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.33
Rot. Bonds5

About 4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol

4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol (PubChem CID 81159014) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol
PubChem CID81159014
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(Cc2cc(OC)cc([N+](=O)[O-])c2)C1
InChIInChI=1S/C16H23NO4/c1-3-11-4-5-16(18)13(6-11)7-12-8-14(17(19)20)10-15(9-12)21-2/h8-11,13,16,18H,3-7H2,1-2H3
InChIKeyMOOWHSWPWVUJHZ-UHFFFAOYSA-N
XLogP3.33
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.33
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'}

Analyze 4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol 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

2-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-ol
CID 81165740
4-ethyl-2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 79423001
1-[(2-bromo-5-methylcyclohexyl)methyl]-3-methoxy-5-nitrobenzene
CID 81166119
2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine
CID 81154660
4-ethyl-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 82895883
N-ethyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxan-4-amine
CID 106469361
1-cyclopropyl-3-(3-methoxy-5-nitrophenyl)propan-1-one
CID 81155288
2-[(4-bromo-2-nitrophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 114382415
ethyl 2-(3-methoxy-5-nitrophenyl)acetate
CID 134640478
4-ethyl-2-[(4-ethylphenyl)methyl]cyclohexan-1-ol
CID 63461440
(3R)-1-[(3-methoxy-5-nitrophenyl)methyl]pyrrolidin-3-ol
CID 81166124
4-ethyl-2-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 79422404

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol (CID 81159014) is 4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol is CCC1CCC(O)C(Cc2cc(OC)cc([N+](=O)[O-])c2)C1.
What is the InChIKey of 4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol?
The InChIKey is MOOWHSWPWVUJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-11-4-5-16(18)13(6-11)7-12-8-14(17(19)20)10-15(9-12)21-2/h8-11,13,16,18H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol?
4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol has a molecular weight of 293.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 81159014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).