(2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone

C17H17NO2 — CID 97092730

IUPAC(2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccccc2O)[C@@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-12-11-18(16(12)13-7-3-2-4-8-13)17(20)14-9-5-6-10-15(14)19/h2-10,12,16,19H,11H2,1H3/t12-,16-/m0/s1
InChIKeyOAVYNHSEPSIXNE-LRDDRELGSA-N
MW267.33 g/mol
LogP3.23
Rot. Bonds2

About (2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone

(2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone (PubChem CID 97092730) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone
PubChem CID97092730
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccccc2O)[C@@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-12-11-18(16(12)13-7-3-2-4-8-13)17(20)14-9-5-6-10-15(14)19/h2-10,12,16,19H,11H2,1H3/t12-,16-/m0/s1
InChIKeyOAVYNHSEPSIXNE-LRDDRELGSA-N
XLogP3.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-hydroxy-3-[(2R,3R)-3-methyl-2-phenylazetidine-1-carbonyl]phenyl]propanamide
CID 97242926
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 99774852
2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid
CID 119187127
(3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone
CID 103575825
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116461
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2-hydroxyphenyl)methanone
CID 81211637
4-[3-(3-methyl-2-phenylazetidin-1-yl)-3-oxopropyl]benzoic acid
CID 119187124
(2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone
CID 115634458
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
1-benzoyl-4,5-diphenylpyrrolidine-3-carboxylic acid
CID 53440493

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone (CID 97092730) is (2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone is C[C@H]1CN(C(=O)c2ccccc2O)[C@@H]1c1ccccc1.
What is the InChIKey of (2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone?
The InChIKey is OAVYNHSEPSIXNE-LRDDRELGSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-11-18(16(12)13-7-3-2-4-8-13)17(20)14-9-5-6-10-15(14)19/h2-10,12,16,19H,11H2,1H3/t12-,16-/m0/s1.
What are the key properties of (2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone?
(2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone has a molecular weight of 267.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone is sourced from PubChem (CID 97092730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).