[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol

C13H18ClNO3 — CID 99930605

IUPAC[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol
SMILESCOc1ccc(CN2CCOC[C@@H]2CO)cc1Cl
InChIInChI=1S/C13H18ClNO3/c1-17-13-3-2-10(6-12(13)14)7-15-4-5-18-9-11(15)8-16/h2-3,6,11,16H,4-5,7-9H2,1H3/t11-/m0/s1
InChIKeyQBRGHOBYBBNHMD-NSHDSACASA-N
MW271.74 g/mol
LogP1.54
Rot. Bonds4

About [(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol

[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol (PubChem CID 99930605) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is [(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol
PubChem CID99930605
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol
SMILESCOc1ccc(CN2CCOC[C@@H]2CO)cc1Cl
InChIInChI=1S/C13H18ClNO3/c1-17-13-3-2-10(6-12(13)14)7-15-4-5-18-9-11(15)8-16/h2-3,6,11,16H,4-5,7-9H2,1H3/t11-/m0/s1
InChIKeyQBRGHOBYBBNHMD-NSHDSACASA-N
XLogP1.54
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 163376784
[(3S)-4-[[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]morpholin-3-yl]methanol
CID 99936916
[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine
CID 83096554
[(3R)-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]morpholin-3-yl]methanol
CID 99935125
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65344113
4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid
CID 106793496
[4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol
CID 117009222
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65338703
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 82299031
[4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 103038281
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 69347794

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol?
The IUPAC name of [(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol (CID 99930605) is [(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol.
What is the SMILES notation for [(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol?
The canonical SMILES for [(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol is COc1ccc(CN2CCOC[C@@H]2CO)cc1Cl.
What is the InChIKey of [(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol?
The InChIKey is QBRGHOBYBBNHMD-NSHDSACASA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-17-13-3-2-10(6-12(13)14)7-15-4-5-18-9-11(15)8-16/h2-3,6,11,16H,4-5,7-9H2,1H3/t11-/m0/s1.
What are the key properties of [(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol?
[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol has a molecular weight of 271.74 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol is sourced from PubChem (CID 99930605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).