2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone

C13H16O2 — CID 170204643

IUPAC2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone
SMILESCOC(=C=O)c1cccc(C(C)C)c1C
InChIInChI=1S/C13H16O2/c1-9(2)11-6-5-7-12(10(11)3)13(8-14)15-4/h5-7,9H,1-4H3
InChIKeyRCRUPNASNPFWSX-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.94
Rot. Bonds3

About 2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone

2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone (PubChem CID 170204643) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone.

Molecular Properties

Compound Name2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone
PubChem CID170204643
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone
SMILESCOC(=C=O)c1cccc(C(C)C)c1C
InChIInChI=1S/C13H16O2/c1-9(2)11-6-5-7-12(10(11)3)13(8-14)15-4/h5-7,9H,1-4H3
InChIKeyRCRUPNASNPFWSX-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
CID 123852812
methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate
CID 143093079
(2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 58290282
carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene
CID 174706282
ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
CID 142526423
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-nitrobenzamide
CID 957054
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
2-methoxy-2-phenylethenone
CID 11819198
N,2-di(propan-2-yl)benzamide
CID 14972595
methyl 2-(bromomethyl)-3-propan-2-ylbenzoate
CID 91380852
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
ethane;methyl 2-methyl-6-propan-2-ylbenzoate
CID 144651677

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone?
The IUPAC name of 2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone (CID 170204643) is 2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone.
What is the SMILES notation for 2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone?
The canonical SMILES for 2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone is COC(=C=O)c1cccc(C(C)C)c1C.
What is the InChIKey of 2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone?
The InChIKey is RCRUPNASNPFWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9(2)11-6-5-7-12(10(11)3)13(8-14)15-4/h5-7,9H,1-4H3.
What are the key properties of 2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone?
2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone has a molecular weight of 204.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone is sourced from PubChem (CID 170204643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).