[(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol

C16H24ClNO4 — CID 99935125

IUPAC[(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol
SMILESCCCOc1cc(Cl)c(CN2CCOC[C@H]2CO)cc1OC
InChIInChI=1S/C16H24ClNO4/c1-3-5-22-16-8-14(17)12(7-15(16)20-2)9-18-4-6-21-11-13(18)10-19/h7-8,13,19H,3-6,9-11H2,1-2H3/t13-/m1/s1
InChIKeyZTIBWZFZJDUCRG-CYBMUJFWSA-N
MW329.82 g/mol
LogP2.33
Rot. Bonds7

About [(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol

[(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol (PubChem CID 99935125) has the molecular formula C16H24ClNO4 and a molecular weight of 329.82 g/mol. Its IUPAC name is [(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol
PubChem CID99935125
Molecular FormulaC16H24ClNO4
Molecular Weight329.82 g/mol
Exact Mass329.14
IUPAC Name[(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol
SMILESCCCOc1cc(Cl)c(CN2CCOC[C@H]2CO)cc1OC
InChIInChI=1S/C16H24ClNO4/c1-3-5-22-16-8-14(17)12(7-15(16)20-2)9-18-4-6-21-11-13(18)10-19/h7-8,13,19H,3-6,9-11H2,1-2H3/t13-/m1/s1
InChIKeyZTIBWZFZJDUCRG-CYBMUJFWSA-N
XLogP2.33
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 99930605
[(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 99960060
[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 163376784
[(2S,3R)-4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134703932
[(2R)-4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperazin-2-yl]methanol
CID 99973684
[(3S)-4-[[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]morpholin-3-yl]methanol
CID 99936916
[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methanol
CID 102858362
[4-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-1,4-oxazepan-6-yl]methanol
CID 70785122
[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62734794
[4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol
CID 117009222
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine
CID 66530974
2-chloro-5-methoxy-4-propoxybenzoic acid
CID 66528858

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol?
The IUPAC name of [(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol (CID 99935125) is [(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol.
What is the SMILES notation for [(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol?
The canonical SMILES for [(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol is CCCOc1cc(Cl)c(CN2CCOC[C@H]2CO)cc1OC.
What is the InChIKey of [(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol?
The InChIKey is ZTIBWZFZJDUCRG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24ClNO4/c1-3-5-22-16-8-14(17)12(7-15(16)20-2)9-18-4-6-21-11-13(18)10-19/h7-8,13,19H,3-6,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of [(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol?
[(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol has a molecular weight of 329.82 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol is sourced from PubChem (CID 99935125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).