4-(4-benzylmorpholin-2-yl)-2-chlorophenol

C17H18ClNO2 — CID 66654072

IUPAC4-(4-benzylmorpholin-2-yl)-2-chlorophenol
SMILESOc1ccc(C2CN(Cc3ccccc3)CCO2)cc1Cl
InChIInChI=1S/C17H18ClNO2/c18-15-10-14(6-7-16(15)20)17-12-19(8-9-21-17)11-13-4-2-1-3-5-13/h1-7,10,17,20H,8-9,11-12H2
InChIKeyNPOGEQBCDDJZEF-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.62
Rot. Bonds3

About 4-(4-benzylmorpholin-2-yl)-2-chlorophenol

4-(4-benzylmorpholin-2-yl)-2-chlorophenol (PubChem CID 66654072) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-(4-benzylmorpholin-2-yl)-2-chlorophenol.

Molecular Properties

Compound Name4-(4-benzylmorpholin-2-yl)-2-chlorophenol
PubChem CID66654072
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name4-(4-benzylmorpholin-2-yl)-2-chlorophenol
SMILESOc1ccc(C2CN(Cc3ccccc3)CCO2)cc1Cl
InChIInChI=1S/C17H18ClNO2/c18-15-10-14(6-7-16(15)20)17-12-19(8-9-21-17)11-13-4-2-1-3-5-13/h1-7,10,17,20H,8-9,11-12H2
InChIKeyNPOGEQBCDDJZEF-UHFFFAOYSA-N
XLogP3.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol
CID 82986596
N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine
CID 86670013
[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119
4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
CID 95553357
3-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]benzoic acid
CID 122034855
4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine
CID 67032467
4-benzyl-2-[4-(2-chlorophenyl)sulfonylphenyl]morpholine;4-benzyl-2-[4-(2,6-dichlorophenyl)sulfonylphenyl]morpholine
CID 172795618
5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95558901
2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]phenol
CID 154795509
2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol
CID 95402420
3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
CID 95175790
(2S)-2-(3,4-dichlorophenyl)-4-[(1-propan-2-ylpyrazol-4-yl)methyl]morpholine
CID 95549633

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylmorpholin-2-yl)-2-chlorophenol?
The IUPAC name of 4-(4-benzylmorpholin-2-yl)-2-chlorophenol (CID 66654072) is 4-(4-benzylmorpholin-2-yl)-2-chlorophenol.
What is the SMILES notation for 4-(4-benzylmorpholin-2-yl)-2-chlorophenol?
The canonical SMILES for 4-(4-benzylmorpholin-2-yl)-2-chlorophenol is Oc1ccc(C2CN(Cc3ccccc3)CCO2)cc1Cl.
What is the InChIKey of 4-(4-benzylmorpholin-2-yl)-2-chlorophenol?
The InChIKey is NPOGEQBCDDJZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-15-10-14(6-7-16(15)20)17-12-19(8-9-21-17)11-13-4-2-1-3-5-13/h1-7,10,17,20H,8-9,11-12H2.
What are the key properties of 4-(4-benzylmorpholin-2-yl)-2-chlorophenol?
4-(4-benzylmorpholin-2-yl)-2-chlorophenol has a molecular weight of 303.79 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylmorpholin-2-yl)-2-chlorophenol is sourced from PubChem (CID 66654072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).