2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one

C17H26O3 — CID 116709920

IUPAC2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one
SMILESCCOC(C(=O)c1cccc(OC(C)C)c1)C(C)(C)C
InChIInChI=1S/C17H26O3/c1-7-19-16(17(4,5)6)15(18)13-9-8-10-14(11-13)20-12(2)3/h8-12,16H,7H2,1-6H3
InChIKeyDKQPNCPBLQDQFQ-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.11
Rot. Bonds6

About 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one

2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one (PubChem CID 116709920) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one
PubChem CID116709920
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one
SMILESCCOC(C(=O)c1cccc(OC(C)C)c1)C(C)(C)C
InChIInChI=1S/C17H26O3/c1-7-19-16(17(4,5)6)15(18)13-9-8-10-14(11-13)20-12(2)3/h8-12,16H,7H2,1-6H3
InChIKeyDKQPNCPBLQDQFQ-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116709839
2-hydroxy-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 103453162
4,4-dimethyl-1-(3-propan-2-yloxyphenyl)pentan-1-one
CID 114970108
(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62797135
2-ethoxy-1-(3-ethoxyphenyl)butan-1-one
CID 116707614
2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone
CID 105120452
2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one
CID 116574589
butan-2-yl 3-propan-2-yloxybenzoate
CID 82186277
2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 116709705
3-ethyl-1-(3-propan-2-yloxyphenyl)pent-2-en-1-one
CID 103458915
2-amino-4-methylsulfonyl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116552038
2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116725346

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one?
The IUPAC name of 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one (CID 116709920) is 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one.
What is the SMILES notation for 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one?
The canonical SMILES for 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one is CCOC(C(=O)c1cccc(OC(C)C)c1)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one?
The InChIKey is DKQPNCPBLQDQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-7-19-16(17(4,5)6)15(18)13-9-8-10-14(11-13)20-12(2)3/h8-12,16H,7H2,1-6H3.
What are the key properties of 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one?
2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one has a molecular weight of 278.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one is sourced from PubChem (CID 116709920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).