[(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone

C18H21NO5 — CID 124516293

IUPAC[(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1
InChIInChI=1S/C18H21NO5/c1-12-4-5-15(20)14(9-12)18(22)19-6-8-23-11-13(19)10-16(21)17-3-2-7-24-17/h2-5,7,9,13,16,20-21H,6,8,10-11H2,1H3/t13-,16+/m0/s1
InChIKeyCGRZHSLMEPXGHO-XJKSGUPXSA-N
MW331.37 g/mol
LogP2.26
Rot. Bonds4

About [(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone

[(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone (PubChem CID 124516293) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is [(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone
PubChem CID124516293
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name[(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1
InChIInChI=1S/C18H21NO5/c1-12-4-5-15(20)14(9-12)18(22)19-6-8-23-11-13(19)10-16(21)17-3-2-7-24-17/h2-5,7,9,13,16,20-21H,6,8,10-11H2,1H3/t13-,16+/m0/s1
InChIKeyCGRZHSLMEPXGHO-XJKSGUPXSA-N
XLogP2.26
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 109467720
N-[1-(furan-2-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 109499701
methyl 5-[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 97065042
3-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 109467719
[(3S)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)methanone
CID 99708101
N-(3-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 71916804
(3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide
CID 97244661
(3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 97244674
(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 98871019
(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 55083039
2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107721744
(4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone
CID 99627905

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone?
The IUPAC name of [(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone (CID 124516293) is [(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone.
What is the SMILES notation for [(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone?
The canonical SMILES for [(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone is Cc1ccc(O)c(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1.
What is the InChIKey of [(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone?
The InChIKey is CGRZHSLMEPXGHO-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H21NO5/c1-12-4-5-15(20)14(9-12)18(22)19-6-8-23-11-13(19)10-16(21)17-3-2-7-24-17/h2-5,7,9,13,16,20-21H,6,8,10-11H2,1H3/t13-,16+/m0/s1.
What are the key properties of [(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone?
[(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone has a molecular weight of 331.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone is sourced from PubChem (CID 124516293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).