4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol

C16H16ClNO — CID 43742874

IUPAC4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol
SMILESOc1ccc(NC2CC(c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C16H16ClNO/c17-13-3-1-2-11(8-13)12-9-15(10-12)18-14-4-6-16(19)7-5-14/h1-8,12,15,18-19H,9-10H2
InChIKeyBYYCEHKVNLQZFH-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.40
Rot. Bonds3

About 4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol

4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol (PubChem CID 43742874) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol.

Molecular Properties

Compound Name4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol
PubChem CID43742874
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol
SMILESOc1ccc(NC2CC(c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C16H16ClNO/c17-13-3-1-2-11(8-13)12-9-15(10-12)18-14-4-6-16(19)7-5-14/h1-8,12,15,18-19H,9-10H2
InChIKeyBYYCEHKVNLQZFH-UHFFFAOYSA-N
XLogP4.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.40
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-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol?
The IUPAC name of 4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol (CID 43742874) is 4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol.
What is the SMILES notation for 4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol?
The canonical SMILES for 4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol is Oc1ccc(NC2CC(c3cccc(Cl)c3)C2)cc1.
What is the InChIKey of 4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol?
The InChIKey is BYYCEHKVNLQZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-13-3-1-2-11(8-13)12-9-15(10-12)18-14-4-6-16(19)7-5-14/h1-8,12,15,18-19H,9-10H2.
What are the key properties of 4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol?
4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol has a molecular weight of 273.76 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol is sourced from PubChem (CID 43742874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).