1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one

C15H22O3 — CID 82267817

IUPAC1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one
SMILESCCC(=O)c1cc(OC(C)C)ccc1OC(C)C
InChIInChI=1S/C15H22O3/c1-6-14(16)13-9-12(17-10(2)3)7-8-15(13)18-11(4)5/h7-11H,6H2,1-5H3
InChIKeyRRNYYJKKJXQZLT-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.85
Rot. Bonds6

About 1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one

1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one (PubChem CID 82267817) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one
PubChem CID82267817
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one
SMILESCCC(=O)c1cc(OC(C)C)ccc1OC(C)C
InChIInChI=1S/C15H22O3/c1-6-14(16)13-9-12(17-10(2)3)7-8-15(13)18-11(4)5/h7-11H,6H2,1-5H3
InChIKeyRRNYYJKKJXQZLT-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one
CID 134628763
2-ethoxy-5-propan-2-yloxybenzoic acid
CID 152600647
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
[4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate
CID 169258545
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-one
CID 82052059
methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate
CID 82553026
diethyl 2-[[2,5-di(propan-2-yloxy)phenyl]methylidene]propanedioate
CID 70577906
1-(5-chloro-2-propan-2-yloxyphenyl)butan-1-one
CID 82051215
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-one
CID 118807482
2,5-di(propan-2-yloxy)phenol
CID 57426094
(2-butanoyloxy-4-propan-2-yloxyphenyl) butanoate
CID 140675572
propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate
CID 82553050

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one?
The IUPAC name of 1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one (CID 82267817) is 1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one?
The canonical SMILES for 1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one is CCC(=O)c1cc(OC(C)C)ccc1OC(C)C.
What is the InChIKey of 1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one?
The InChIKey is RRNYYJKKJXQZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-6-14(16)13-9-12(17-10(2)3)7-8-15(13)18-11(4)5/h7-11H,6H2,1-5H3.
What are the key properties of 1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one?
1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one is sourced from PubChem (CID 82267817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).