2-chloro-6-phenylphenol;piperidine

C17H20ClNO — CID 172842774

IUPAC2-chloro-6-phenylphenol;piperidine
SMILESC1CCNCC1.Oc1c(Cl)cccc1-c1ccccc1
InChIInChI=1S/C12H9ClO.C5H11N/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;1-2-4-6-5-3-1/h1-8,14H;6H,1-5H2
InChIKeyXADRDQNWAUZAOK-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.47
Rot. Bonds1

About 2-chloro-6-phenylphenol;piperidine

2-chloro-6-phenylphenol;piperidine (PubChem CID 172842774) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-chloro-6-phenylphenol;piperidine.

Molecular Properties

Compound Name2-chloro-6-phenylphenol;piperidine
PubChem CID172842774
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-chloro-6-phenylphenol;piperidine
SMILESC1CCNCC1.Oc1c(Cl)cccc1-c1ccccc1
InChIInChI=1S/C12H9ClO.C5H11N/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;1-2-4-6-5-3-1/h1-8,14H;6H,1-5H2
InChIKeyXADRDQNWAUZAOK-UHFFFAOYSA-N
XLogP4.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-6-(2-fluoro-4-phenylphenyl)phenol
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1-chloro-2-phenylbenzene;phosphorous acid
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CID 172733378
CID 172733378
acetylene;3-phenylbenzene-1,2-diol
CID 70170334
7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
CID 68856105
2-chloro-6-(2,3,6-trichlorophenyl)phenol
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4-phenylbenzoic acid;piperidine
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2-(2-hydroxy-6-phenylphenyl)-6-phenylphenol
CID 155664156

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-phenylphenol;piperidine?
The IUPAC name of 2-chloro-6-phenylphenol;piperidine (CID 172842774) is 2-chloro-6-phenylphenol;piperidine.
What is the SMILES notation for 2-chloro-6-phenylphenol;piperidine?
The canonical SMILES for 2-chloro-6-phenylphenol;piperidine is C1CCNCC1.Oc1c(Cl)cccc1-c1ccccc1.
What is the InChIKey of 2-chloro-6-phenylphenol;piperidine?
The InChIKey is XADRDQNWAUZAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO.C5H11N/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;1-2-4-6-5-3-1/h1-8,14H;6H,1-5H2.
What are the key properties of 2-chloro-6-phenylphenol;piperidine?
2-chloro-6-phenylphenol;piperidine has a molecular weight of 289.81 g/mol, XLogP of 4.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-phenylphenol;piperidine is sourced from PubChem (CID 172842774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).