(1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol

C14H20ClNO2 — CID 55183017

IUPAC(1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol
SMILESCCC1COCCN1c1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-3-12-9-18-7-6-16(12)14-5-4-11(10(2)17)8-13(14)15/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3/t10-,12?/m1/s1
InChIKeyHYRWFHJWFOFIKD-RWANSRKNSA-N
MW269.77 g/mol
LogP3.01
Rot. Bonds3

About (1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol

(1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol (PubChem CID 55183017) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol
PubChem CID55183017
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol
SMILESCCC1COCCN1c1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-3-12-9-18-7-6-16(12)14-5-4-11(10(2)17)8-13(14)15/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3/t10-,12?/m1/s1
InChIKeyHYRWFHJWFOFIKD-RWANSRKNSA-N
XLogP3.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939791
(1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol
CID 63370957
(1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol
CID 55184827
(1R)-1-[4-(3-ethylmorpholin-4-yl)phenyl]ethanol
CID 78939798
1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanol
CID 104690625
4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine
CID 81152265
N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 81146788
5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde
CID 114843991
(1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 78939877
1-[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836525
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836509
(1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol
CID 63370938

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol (CID 55183017) is (1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol is CCC1COCCN1c1ccc([C@@H](C)O)cc1Cl.
What is the InChIKey of (1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol?
The InChIKey is HYRWFHJWFOFIKD-RWANSRKNSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-12-9-18-7-6-16(12)14-5-4-11(10(2)17)8-13(14)15/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3/t10-,12?/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol?
(1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol has a molecular weight of 269.77 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol is sourced from PubChem (CID 55183017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).