4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol

C15H23NO3 — CID 22215438

IUPAC4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol
SMILESCCC1C(N)CC(c2ccccc2OC)C(O)C1O
InChIInChI=1S/C15H23NO3/c1-3-9-12(16)8-11(15(18)14(9)17)10-6-4-5-7-13(10)19-2/h4-7,9,11-12,14-15,17-18H,3,8,16H2,1-2H3
InChIKeySQETVBVEMFDLCO-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.26
Rot. Bonds3

About 4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol

4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol (PubChem CID 22215438) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol.

Molecular Properties

Compound Name4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol
PubChem CID22215438
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol
SMILESCCC1C(N)CC(c2ccccc2OC)C(O)C1O
InChIInChI=1S/C15H23NO3/c1-3-9-12(16)8-11(15(18)14(9)17)10-6-4-5-7-13(10)19-2/h4-7,9,11-12,14-15,17-18H,3,8,16H2,1-2H3
InChIKeySQETVBVEMFDLCO-UHFFFAOYSA-N
XLogP1.26
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol?
The IUPAC name of 4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol (CID 22215438) is 4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol.
What is the SMILES notation for 4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol?
The canonical SMILES for 4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol is CCC1C(N)CC(c2ccccc2OC)C(O)C1O.
What is the InChIKey of 4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol?
The InChIKey is SQETVBVEMFDLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-9-12(16)8-11(15(18)14(9)17)10-6-4-5-7-13(10)19-2/h4-7,9,11-12,14-15,17-18H,3,8,16H2,1-2H3.
What are the key properties of 4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol?
4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol has a molecular weight of 265.35 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-6-(2-methoxyphenyl)cyclohexane-1,2-diol is sourced from PubChem (CID 22215438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).