5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid

C19H20ClNO4 — CID 95553756

IUPAC5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(CN2CCO[C@@H](Cc3ccccc3Cl)C2)ccc1O
InChIInChI=1S/C19H20ClNO4/c20-17-4-2-1-3-14(17)10-15-12-21(7-8-25-15)11-13-5-6-18(22)16(9-13)19(23)24/h1-6,9,15,22H,7-8,10-12H2,(H,23,24)/t15-/m0/s1
InChIKeyOPKILNOGNUQKPA-HNNXBMFYSA-N
MW361.83 g/mol
LogP3.19
Rot. Bonds5

About 5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid

5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid (PubChem CID 95553756) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid
PubChem CID95553756
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(CN2CCO[C@@H](Cc3ccccc3Cl)C2)ccc1O
InChIInChI=1S/C19H20ClNO4/c20-17-4-2-1-3-14(17)10-15-12-21(7-8-25-15)11-13-5-6-18(22)16(9-13)19(23)24/h1-6,9,15,22H,7-8,10-12H2,(H,23,24)/t15-/m0/s1
InChIKeyOPKILNOGNUQKPA-HNNXBMFYSA-N
XLogP3.19
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol
CID 125000372
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440
4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine
CID 67073026
(2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 42511055
[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]-cyclopentylmethanone
CID 95123744
2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 43562236
2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 82976620
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide
CID 14881990
4-[[2-[(2-chloro-4-fluorophenyl)methyl]morpholin-4-yl]methyl]-5-cyclopropyl-2-fluorobenzoic acid;hydrochloride
CID 118111239
2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol
CID 82986596

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid (CID 95553756) is 5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid is O=C(O)c1cc(CN2CCO[C@@H](Cc3ccccc3Cl)C2)ccc1O.
What is the InChIKey of 5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid?
The InChIKey is OPKILNOGNUQKPA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c20-17-4-2-1-3-14(17)10-15-12-21(7-8-25-15)11-13-5-6-18(22)16(9-13)19(23)24/h1-6,9,15,22H,7-8,10-12H2,(H,23,24)/t15-/m0/s1.
What are the key properties of 5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid?
5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid has a molecular weight of 361.83 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 95553756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).