2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one

C15H22O3 — CID 116709839

IUPAC2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
SMILESCCOC(C(=O)c1cccc(OC)c1)C(C)(C)C
InChIInChI=1S/C15H22O3/c1-6-18-14(15(2,3)4)13(16)11-8-7-9-12(10-11)17-5/h7-10,14H,6H2,1-5H3
InChIKeyVKSSLEJTQIWOJC-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.33
Rot. Bonds5

About 2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one

2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one (PubChem CID 116709839) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
PubChem CID116709839
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
SMILESCCOC(C(=O)c1cccc(OC)c1)C(C)(C)C
InChIInChI=1S/C15H22O3/c1-6-18-14(15(2,3)4)13(16)11-8-7-9-12(10-11)17-5/h7-10,14H,6H2,1-5H3
InChIKeyVKSSLEJTQIWOJC-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116709920
2-amino-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116611446
2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166
2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione
CID 139919860
(2-ethoxyphenyl) 3-methoxybenzoate
CID 19184767
2-methoxy-1-(3-methoxyphenyl)pentan-1-one
CID 116708051
2-ethoxy-1-(3-ethoxyphenyl)butan-1-one
CID 116707614
2-(3-methoxybenzoyl)butanenitrile
CID 15416394
2-chloro-1-(3-methoxyphenyl)propan-1-one
CID 45080933
5-(3-methoxyphenyl)hex-5-en-3-one
CID 143913597
tert-butyl-[(2S)-1-(3-methoxyphenyl)-1-oxopropan-2-yl]carbamic acid
CID 66812593
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one?
The IUPAC name of 2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one (CID 116709839) is 2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one is CCOC(C(=O)c1cccc(OC)c1)C(C)(C)C.
What is the InChIKey of 2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one?
The InChIKey is VKSSLEJTQIWOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-6-18-14(15(2,3)4)13(16)11-8-7-9-12(10-11)17-5/h7-10,14H,6H2,1-5H3.
What are the key properties of 2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one?
2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 116709839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).