(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone

C14H16ClNO2 — CID 63763664

IUPAC(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1C2CCC1CC(Cl)C2
InChIInChI=1S/C14H16ClNO2/c15-10-7-11-3-4-12(8-10)16(11)14(18)9-1-5-13(17)6-2-9/h1-2,5-6,10-12,17H,3-4,7-8H2
InChIKeyOUJWVMJWTBGIRB-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.77
Rot. Bonds1

About (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone

(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone (PubChem CID 63763664) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone
PubChem CID63763664
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1C2CCC1CC(Cl)C2
InChIInChI=1S/C14H16ClNO2/c15-10-7-11-3-4-12(8-10)16(11)14(18)9-1-5-13(17)6-2-9/h1-2,5-6,10-12,17H,3-4,7-8H2
InChIKeyOUJWVMJWTBGIRB-UHFFFAOYSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(1H-pyrazol-4-yl)methanone
CID 63764723
3-(3-chloro-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile
CID 63763140
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82830242
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(3-chloro-5-methylphenyl)methanone
CID 81324166
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2,6-dimethylphenyl)methanone
CID 114026510
(4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride
CID 119706378
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone
CID 63764552
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone
CID 55237037
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 63763280
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(3-chlorothiophen-2-yl)methanone
CID 80641786
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylthiophen-3-yl)methanone
CID 79808876
(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylsulfanylphenyl)methanone
CID 80678705

Frequently Asked Questions

What is the IUPAC name of (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone (CID 63763664) is (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)N1C2CCC1CC(Cl)C2.
What is the InChIKey of (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone?
The InChIKey is OUJWVMJWTBGIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-10-7-11-3-4-12(8-10)16(11)14(18)9-1-5-13(17)6-2-9/h1-2,5-6,10-12,17H,3-4,7-8H2.
What are the key properties of (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone?
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone has a molecular weight of 265.74 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 63763664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).