1-chloro-3-morpholin-4-ylpropan-2-ol

C7H14ClNO2 — CID 10080987

IUPAC1-chloro-3-morpholin-4-ylpropan-2-ol
SMILESOC(CCl)CN1CCOCC1
InChIInChI=1S/C7H14ClNO2/c8-5-7(10)6-9-1-3-11-4-2-9/h7,10H,1-6H2
InChIKeyIWZJQGIFUBWZAE-UHFFFAOYSA-N
MW179.65 g/mol
LogP-0.08
Rot. Bonds3

About 1-chloro-3-morpholin-4-ylpropan-2-ol

1-chloro-3-morpholin-4-ylpropan-2-ol (PubChem CID 10080987) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 1-chloro-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-chloro-3-morpholin-4-ylpropan-2-ol
PubChem CID10080987
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name1-chloro-3-morpholin-4-ylpropan-2-ol
SMILESOC(CCl)CN1CCOCC1
InChIInChI=1S/C7H14ClNO2/c8-5-7(10)6-9-1-3-11-4-2-9/h7,10H,1-6H2
InChIKeyIWZJQGIFUBWZAE-UHFFFAOYSA-N
XLogP-0.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043
1-chloro-3-(6-methyl-1,4-oxazepan-4-yl)propan-2-ol
CID 130927583
(2S)-1-chloro-3-piperidin-1-ylpropan-2-ol
CID 102309781
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449
3-hydroxy-4-morpholin-4-ylbutanoic acid
CID 79006775
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
(3R)-3-hydroxy-4-morpholin-4-ylbutanamide
CID 69066222
1-morpholin-4-yl-3-(morpholin-4-ylamino)propan-2-ol
CID 83022230
1-morpholin-4-ylheptan-2-ol
CID 15312312
1-(3-chloro-2-hydroxypropyl)piperidin-4-one
CID 130130972
(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 92856830
1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 65468625

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-chloro-3-morpholin-4-ylpropan-2-ol (CID 10080987) is 1-chloro-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-chloro-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-chloro-3-morpholin-4-ylpropan-2-ol is OC(CCl)CN1CCOCC1.
What is the InChIKey of 1-chloro-3-morpholin-4-ylpropan-2-ol?
The InChIKey is IWZJQGIFUBWZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2/c8-5-7(10)6-9-1-3-11-4-2-9/h7,10H,1-6H2.
What are the key properties of 1-chloro-3-morpholin-4-ylpropan-2-ol?
1-chloro-3-morpholin-4-ylpropan-2-ol has a molecular weight of 179.65 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 10080987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).