3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride

C19H22ClNO4 — CID 66654044

IUPAC3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCN1CCOC(c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C19H21NO4.ClH/c21-19(22)10-11-20-12-13-23-18(14-20)15-6-8-17(9-7-15)24-16-4-2-1-3-5-16;/h1-9,18H,10-14H2,(H,21,22);1H
InChIKeyHGCBPEHSGCBQFH-UHFFFAOYSA-N
MW363.84 g/mol
LogP3.75
Rot. Bonds6

About 3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride

3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride (PubChem CID 66654044) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is 3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
PubChem CID66654044
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCN1CCOC(c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C19H21NO4.ClH/c21-19(22)10-11-20-12-13-23-18(14-20)15-6-8-17(9-7-15)24-16-4-2-1-3-5-16;/h1-9,18H,10-14H2,(H,21,22);1H
InChIKeyHGCBPEHSGCBQFH-UHFFFAOYSA-N
XLogP3.75
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 66653995
3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
CID 56597202
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid
CID 56597204
3-[2-[4-(benzenesulfonyl)phenyl]morpholin-4-yl]propanoic acid
CID 56599119
3-[(2S)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
CID 124564158
3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid
CID 124564116
3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
CID 124564157
3-[2-(4-hex-5-ynoxyphenyl)morpholin-4-yl]propanoic acid
CID 51002386
3-[2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]morpholin-4-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 67032568
3-[2-[4-(4-methylphenyl)sulfanylphenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 66653953
3-[2-[4-[(2-chloro-3-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032676

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride (CID 66654044) is 3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride is Cl.O=C(O)CCN1CCOC(c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of 3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride?
The InChIKey is HGCBPEHSGCBQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4.ClH/c21-19(22)10-11-20-12-13-23-18(14-20)15-6-8-17(9-7-15)24-16-4-2-1-3-5-16;/h1-9,18H,10-14H2,(H,21,22);1H.
What are the key properties of 3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride?
3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride has a molecular weight of 363.84 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 66654044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).