[4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone

C21H24ClNO3 — CID 126437570

IUPAC[4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCC[C@@H]1CCCCN1C(=O)c1ccc(-c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C21H24ClNO3/c1-26-13-11-18-4-2-3-12-23(18)21(25)16-7-5-15(6-8-16)19-14-17(22)9-10-20(19)24/h5-10,14,18,24H,2-4,11-13H2,1H3/t18-/m0/s1
InChIKeyDURFQXVAUFFDLY-SFHVURJKSA-N
MW373.88 g/mol
LogP4.74
Rot. Bonds5

About [4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone

[4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 126437570) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is [4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID126437570
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name[4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCC[C@@H]1CCCCN1C(=O)c1ccc(-c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C21H24ClNO3/c1-26-13-11-18-4-2-3-12-23(18)21(25)16-7-5-15(6-8-16)19-14-17(22)9-10-20(19)24/h5-10,14,18,24H,2-4,11-13H2,1H3/t18-/m0/s1
InChIKeyDURFQXVAUFFDLY-SFHVURJKSA-N
XLogP4.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-(2-bromoethyl)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 80665142
(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83055938
[4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone
CID 126450375
[2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 82044979
(5-chloro-2-hydroxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411311
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750
[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone
CID 126431087
[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 126423940
(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425707
[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425708

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone (CID 126437570) is [4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone is COCC[C@@H]1CCCCN1C(=O)c1ccc(-c2cc(Cl)ccc2O)cc1.
What is the InChIKey of [4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is DURFQXVAUFFDLY-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-26-13-11-18-4-2-3-12-23(18)21(25)16-7-5-15(6-8-16)19-14-17(22)9-10-20(19)24/h5-10,14,18,24H,2-4,11-13H2,1H3/t18-/m0/s1.
What are the key properties of [4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone?
[4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 373.88 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126437570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).