(2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone

C16H22O2 — CID 928481

IUPAC(2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone
SMILESCc1ccccc1C(=O)[C@H]1CCO[C@@H](C(C)C)C1
InChIInChI=1S/C16H22O2/c1-11(2)15-10-13(8-9-18-15)16(17)14-7-5-4-6-12(14)3/h4-7,11,13,15H,8-10H2,1-3H3/t13-,15+/m0/s1
InChIKeyFEROZMZLZPUJBS-DZGCQCFKSA-N
MW246.35 g/mol
LogP3.63
Rot. Bonds3

About (2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone

(2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone (PubChem CID 928481) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone
PubChem CID928481
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone
SMILESCc1ccccc1C(=O)[C@H]1CCO[C@@H](C(C)C)C1
InChIInChI=1S/C16H22O2/c1-11(2)15-10-13(8-9-18-15)16(17)14-7-5-4-6-12(14)3/h4-7,11,13,15H,8-10H2,1-3H3/t13-,15+/m0/s1
InChIKeyFEROZMZLZPUJBS-DZGCQCFKSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylcyclohexyl)-(2-methylphenyl)methanone
CID 54592977
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 81374208
2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide
CID 122159167
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-methylphenyl)methanone
CID 128946457
(2-methylphenyl)-morpholin-2-ylmethanone
CID 84673271
cyclopropyl-(2-propan-2-ylphenyl)methanone
CID 53437883
cyclopropyl-(2-fluoro-3-methylphenyl)methanone
CID 70266703
cis-(1R,2S)-2-(2-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722414
cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid
CID 24722312
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone?
The IUPAC name of (2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone (CID 928481) is (2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone is Cc1ccccc1C(=O)[C@H]1CCO[C@@H](C(C)C)C1.
What is the InChIKey of (2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone?
The InChIKey is FEROZMZLZPUJBS-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H22O2/c1-11(2)15-10-13(8-9-18-15)16(17)14-7-5-4-6-12(14)3/h4-7,11,13,15H,8-10H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of (2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone?
(2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone has a molecular weight of 246.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone is sourced from PubChem (CID 928481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).