[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone

C23H23NO3 — CID 175645819

IUPAC[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone
SMILESCc1cccc(-c2cccc3cc(C(=O)N4CCO[C@@H](CO)C4)ccc23)c1
InChIInChI=1S/C23H23NO3/c1-16-4-2-5-17(12-16)21-7-3-6-18-13-19(8-9-22(18)21)23(26)24-10-11-27-20(14-24)15-25/h2-9,12-13,20,25H,10-11,14-15H2,1H3/t20-/m1/s1
InChIKeySDCGQDFZCOCDND-HXUWFJFHSA-N
MW361.44 g/mol
LogP3.65
Rot. Bonds3

About [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone

[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone (PubChem CID 175645819) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone
PubChem CID175645819
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone
SMILESCc1cccc(-c2cccc3cc(C(=O)N4CCO[C@@H](CO)C4)ccc23)c1
InChIInChI=1S/C23H23NO3/c1-16-4-2-5-17(12-16)21-7-3-6-18-13-19(8-9-22(18)21)23(26)24-10-11-27-20(14-24)15-25/h2-9,12-13,20,25H,10-11,14-15H2,1H3/t20-/m1/s1
InChIKeySDCGQDFZCOCDND-HXUWFJFHSA-N
XLogP3.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-nitrophenyl)methanone
CID 81208302
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
3-[2-(hydroxymethyl)morpholine-4-carbonyl]benzenecarbothioamide
CID 81203400
N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 81196262
(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113330305
[(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone
CID 126426185
(2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81206264
(2-bromo-3-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103855429
2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
CID 103429192
furan-3-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207986
1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one
CID 81208849
[2-(hydroxymethyl)morpholin-4-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 71846639

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone?
The IUPAC name of [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone (CID 175645819) is [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone.
What is the SMILES notation for [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone?
The canonical SMILES for [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone is Cc1cccc(-c2cccc3cc(C(=O)N4CCO[C@@H](CO)C4)ccc23)c1.
What is the InChIKey of [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone?
The InChIKey is SDCGQDFZCOCDND-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23NO3/c1-16-4-2-5-17(12-16)21-7-3-6-18-13-19(8-9-22(18)21)23(26)24-10-11-27-20(14-24)15-25/h2-9,12-13,20,25H,10-11,14-15H2,1H3/t20-/m1/s1.
What are the key properties of [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone?
[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone has a molecular weight of 361.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone is sourced from PubChem (CID 175645819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).