1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one

C18H28O4 — CID 146611640

IUPAC1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one
SMILESCCOc1cc(OC(C)C)cc(OC(C)C)c1C(=O)C(C)C
InChIInChI=1S/C18H28O4/c1-8-20-15-9-14(21-12(4)5)10-16(22-13(6)7)17(15)18(19)11(2)3/h9-13H,8H2,1-7H3
InChIKeyNRZABHLFCPMDFZ-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.50
Rot. Bonds8

About 1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one

1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one (PubChem CID 146611640) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one
PubChem CID146611640
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one
SMILESCCOc1cc(OC(C)C)cc(OC(C)C)c1C(=O)C(C)C
InChIInChI=1S/C18H28O4/c1-8-20-15-9-14(21-12(4)5)10-16(22-13(6)7)17(15)18(19)11(2)3/h9-13H,8H2,1-7H3
InChIKeyNRZABHLFCPMDFZ-UHFFFAOYSA-N
XLogP4.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-propan-2-yloxybenzaldehyde
CID 141193639
2-ethoxy-5-propan-2-yloxybenzoic acid
CID 152600647
3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one
CID 93191508
methyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate
CID 156634274
1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one
CID 82160972
(2-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43161508
N,N-diethyl-2-(2-methoxyphenoxy)-4,6-di(propan-2-yloxy)benzamide
CID 10927837
[2,4-di(propan-2-yloxy)phenyl]methanol
CID 12071268
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate
CID 82186234
1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol
CID 82263737
1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one
CID 43340747

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one (CID 146611640) is 1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one is CCOc1cc(OC(C)C)cc(OC(C)C)c1C(=O)C(C)C.
What is the InChIKey of 1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one?
The InChIKey is NRZABHLFCPMDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-8-20-15-9-14(21-12(4)5)10-16(22-13(6)7)17(15)18(19)11(2)3/h9-13H,8H2,1-7H3.
What are the key properties of 1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one?
1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one has a molecular weight of 308.42 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 146611640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).