4-(spiro[4.5]decan-8-ylamino)phenol

C16H23NO — CID 114817410

IUPAC4-(spiro[4.5]decan-8-ylamino)phenol
SMILESOc1ccc(NC2CCC3(CCCC3)CC2)cc1
InChIInChI=1S/C16H23NO/c18-15-5-3-13(4-6-15)17-14-7-11-16(12-8-14)9-1-2-10-16/h3-6,14,17-18H,1-2,7-12H2
InChIKeyNROSJIBLJOTZJU-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.31
Rot. Bonds2

About 4-(spiro[4.5]decan-8-ylamino)phenol

4-(spiro[4.5]decan-8-ylamino)phenol (PubChem CID 114817410) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(spiro[4.5]decan-8-ylamino)phenol.

Molecular Properties

Compound Name4-(spiro[4.5]decan-8-ylamino)phenol
PubChem CID114817410
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-(spiro[4.5]decan-8-ylamino)phenol
SMILESOc1ccc(NC2CCC3(CCCC3)CC2)cc1
InChIInChI=1S/C16H23NO/c18-15-5-3-13(4-6-15)17-14-7-11-16(12-8-14)9-1-2-10-16/h3-6,14,17-18H,1-2,7-12H2
InChIKeyNROSJIBLJOTZJU-UHFFFAOYSA-N
XLogP4.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(spiro[4.5]decan-8-ylamino)phenol?
The IUPAC name of 4-(spiro[4.5]decan-8-ylamino)phenol (CID 114817410) is 4-(spiro[4.5]decan-8-ylamino)phenol.
What is the SMILES notation for 4-(spiro[4.5]decan-8-ylamino)phenol?
The canonical SMILES for 4-(spiro[4.5]decan-8-ylamino)phenol is Oc1ccc(NC2CCC3(CCCC3)CC2)cc1.
What is the InChIKey of 4-(spiro[4.5]decan-8-ylamino)phenol?
The InChIKey is NROSJIBLJOTZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-15-5-3-13(4-6-15)17-14-7-11-16(12-8-14)9-1-2-10-16/h3-6,14,17-18H,1-2,7-12H2.
What are the key properties of 4-(spiro[4.5]decan-8-ylamino)phenol?
4-(spiro[4.5]decan-8-ylamino)phenol has a molecular weight of 245.37 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(spiro[4.5]decan-8-ylamino)phenol is sourced from PubChem (CID 114817410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).