4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol

C21H27NO2 — CID 21260507

IUPAC4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol
SMILESOc1ccc(C2CCC(NCCC(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27NO2/c23-20-12-8-17(9-13-20)16-6-10-19(11-7-16)22-15-14-21(24)18-4-2-1-3-5-18/h1-5,8-9,12-13,16,19,21-24H,6-7,10-11,14-15H2
InChIKeyMOHQVJKKBLIABG-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.13
Rot. Bonds6

About 4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol

4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol (PubChem CID 21260507) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol.

Molecular Properties

Compound Name4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol
PubChem CID21260507
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol
SMILESOc1ccc(C2CCC(NCCC(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27NO2/c23-20-12-8-17(9-13-20)16-6-10-19(11-7-16)22-15-14-21(24)18-4-2-1-3-5-18/h1-5,8-9,12-13,16,19,21-24H,6-7,10-11,14-15H2
InChIKeyMOHQVJKKBLIABG-UHFFFAOYSA-N
XLogP4.13
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol?
The IUPAC name of 4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol (CID 21260507) is 4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol.
What is the SMILES notation for 4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol?
The canonical SMILES for 4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol is Oc1ccc(C2CCC(NCCC(O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol?
The InChIKey is MOHQVJKKBLIABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c23-20-12-8-17(9-13-20)16-6-10-19(11-7-16)22-15-14-21(24)18-4-2-1-3-5-18/h1-5,8-9,12-13,16,19,21-24H,6-7,10-11,14-15H2.
What are the key properties of 4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol?
4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol has a molecular weight of 325.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol is sourced from PubChem (CID 21260507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).