2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one

C15H22O3 — CID 116709606

IUPAC2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one
SMILESCOc1ccc(C)cc1C(=O)C(OC)C(C)(C)C
InChIInChI=1S/C15H22O3/c1-10-7-8-12(17-5)11(9-10)13(16)14(18-6)15(2,3)4/h7-9,14H,1-6H3
InChIKeyCXMXSFTWCAFPHS-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.25
Rot. Bonds4

About 2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one

2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one (PubChem CID 116709606) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one
PubChem CID116709606
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one
SMILESCOc1ccc(C)cc1C(=O)C(OC)C(C)(C)C
InChIInChI=1S/C15H22O3/c1-10-7-8-12(17-5)11(9-10)13(16)14(18-6)15(2,3)4/h7-9,14H,1-6H3
InChIKeyCXMXSFTWCAFPHS-UHFFFAOYSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
CID 116709656
3-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopropanoic acid
CID 116918170
2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 103452969
ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone
CID 142095957
2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 116708118
1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one
CID 116709569
2,3-dichloro-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 82118567
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 115795319
4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one
CID 115807525
2-(2-methoxy-5-methylbenzoyl)butanenitrile
CID 62503537
6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one
CID 116574340
2-methoxy-N,5-dimethylbenzohydrazide
CID 116845575

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one?
The IUPAC name of 2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one (CID 116709606) is 2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one is COc1ccc(C)cc1C(=O)C(OC)C(C)(C)C.
What is the InChIKey of 2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one?
The InChIKey is CXMXSFTWCAFPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-7-8-12(17-5)11(9-10)13(16)14(18-6)15(2,3)4/h7-9,14H,1-6H3.
What are the key properties of 2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one?
2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 116709606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).