4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol

C22H22ClNO2 — CID 14368658

IUPAC4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol
SMILESOc1ccc(-c2ccc(CCNCC(O)c3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C22H22ClNO2/c23-20-3-1-2-19(14-20)22(26)15-24-13-12-16-4-6-17(7-5-16)18-8-10-21(25)11-9-18/h1-11,14,22,24-26H,12-13,15H2
InChIKeyIXUIBHBJTWFYCD-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.58
Rot. Bonds7

About 4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol

4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol (PubChem CID 14368658) has the molecular formula C22H22ClNO2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol
PubChem CID14368658
Molecular FormulaC22H22ClNO2
Molecular Weight367.88 g/mol
Exact Mass367.13
IUPAC Name4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol
SMILESOc1ccc(-c2ccc(CCNCC(O)c3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C22H22ClNO2/c23-20-3-1-2-19(14-20)22(26)15-24-13-12-16-4-6-17(7-5-16)18-8-10-21(25)11-9-18/h1-11,14,22,24-26H,12-13,15H2
InChIKeyIXUIBHBJTWFYCD-UHFFFAOYSA-N
XLogP4.58
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenol;hydrochloride
CID 67873161
1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
CID 23322163
2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 18521685
2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 14368692
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-fluorobenzoic acid
CID 24823130
4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 67873607
4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 69053107
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 69102599
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenoxy]benzoic acid
CID 24824228
2-chloro-4-[4-[3-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]benzoic acid
CID 69056294
4-[2-chloro-4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]benzoic acid;hydrochloride
CID 24823934
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methoxyphenyl]benzoic acid
CID 24822972

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol?
The IUPAC name of 4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol (CID 14368658) is 4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol.
What is the SMILES notation for 4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol?
The canonical SMILES for 4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol is Oc1ccc(-c2ccc(CCNCC(O)c3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of 4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol?
The InChIKey is IXUIBHBJTWFYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO2/c23-20-3-1-2-19(14-20)22(26)15-24-13-12-16-4-6-17(7-5-16)18-8-10-21(25)11-9-18/h1-11,14,22,24-26H,12-13,15H2.
What are the key properties of 4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol?
4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol has a molecular weight of 367.88 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol is sourced from PubChem (CID 14368658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).