(3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone

C14H19NO2 — CID 154866258

IUPAC(3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CC([C@@H](C)O)C2)cc1C
InChIInChI=1S/C14H19NO2/c1-9-4-5-12(6-10(9)2)14(17)15-7-13(8-15)11(3)16/h4-6,11,13,16H,7-8H2,1-3H3/t11-/m1/s1
InChIKeyQPZGYVHBVYWELR-LLVKDONJSA-N
MW233.31 g/mol
LogP1.76
Rot. Bonds2

About (3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone

(3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone (PubChem CID 154866258) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone
PubChem CID154866258
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CC([C@@H](C)O)C2)cc1C
InChIInChI=1S/C14H19NO2/c1-9-4-5-12(6-10(9)2)14(17)15-7-13(8-15)11(3)16/h4-6,11,13,16H,7-8H2,1-3H3/t11-/m1/s1
InChIKeyQPZGYVHBVYWELR-LLVKDONJSA-N
XLogP1.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-methoxy-4-methylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681043
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
(3,4-dimethylphenyl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098468
(3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone
CID 145367102
1-(3,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119496
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]propanoic acid
CID 62317426
[4-(1-hydroxyethyl)piperidin-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 103677808
4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]benzonitrile
CID 123312174
1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 110350748
(3-fluoro-4-methoxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627165
2-[[(4R)-1-(3,4-dimethylbenzoyl)-4-hydroxypyrrolidin-3-yl]-methylamino]acetic acid
CID 128970737

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone (CID 154866258) is (3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone is Cc1ccc(C(=O)N2CC([C@@H](C)O)C2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone?
The InChIKey is QPZGYVHBVYWELR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-4-5-12(6-10(9)2)14(17)15-7-13(8-15)11(3)16/h4-6,11,13,16H,7-8H2,1-3H3/t11-/m1/s1.
What are the key properties of (3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone?
(3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone has a molecular weight of 233.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone is sourced from PubChem (CID 154866258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).