4-(3-aminocyclohexyl)benzene-1,3-diol

C12H17NO2 — CID 20824670

IUPAC4-(3-aminocyclohexyl)benzene-1,3-diol
SMILESNC1CCCC(c2ccc(O)cc2O)C1
InChIInChI=1S/C12H17NO2/c13-9-3-1-2-8(6-9)11-5-4-10(14)7-12(11)15/h4-5,7-9,14-15H,1-3,6,13H2
InChIKeyFYQDMXBOHWYXJQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.08
Rot. Bonds1

About 4-(3-aminocyclohexyl)benzene-1,3-diol

4-(3-aminocyclohexyl)benzene-1,3-diol (PubChem CID 20824670) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(3-aminocyclohexyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(3-aminocyclohexyl)benzene-1,3-diol
PubChem CID20824670
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(3-aminocyclohexyl)benzene-1,3-diol
SMILESNC1CCCC(c2ccc(O)cc2O)C1
InChIInChI=1S/C12H17NO2/c13-9-3-1-2-8(6-9)11-5-4-10(14)7-12(11)15/h4-5,7-9,14-15H,1-3,6,13H2
InChIKeyFYQDMXBOHWYXJQ-UHFFFAOYSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclohexyl)benzene-1,3-diol?
The IUPAC name of 4-(3-aminocyclohexyl)benzene-1,3-diol (CID 20824670) is 4-(3-aminocyclohexyl)benzene-1,3-diol.
What is the SMILES notation for 4-(3-aminocyclohexyl)benzene-1,3-diol?
The canonical SMILES for 4-(3-aminocyclohexyl)benzene-1,3-diol is NC1CCCC(c2ccc(O)cc2O)C1.
What is the InChIKey of 4-(3-aminocyclohexyl)benzene-1,3-diol?
The InChIKey is FYQDMXBOHWYXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-9-3-1-2-8(6-9)11-5-4-10(14)7-12(11)15/h4-5,7-9,14-15H,1-3,6,13H2.
What are the key properties of 4-(3-aminocyclohexyl)benzene-1,3-diol?
4-(3-aminocyclohexyl)benzene-1,3-diol has a molecular weight of 207.27 g/mol, XLogP of 2.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclohexyl)benzene-1,3-diol is sourced from PubChem (CID 20824670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).