1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one

C15H22O2 — CID 82053491

IUPAC1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one
SMILESCCOc1ccc(C(C)(C)C)cc1C(=O)CC
InChIInChI=1S/C15H22O2/c1-6-13(16)12-10-11(15(3,4)5)8-9-14(12)17-7-2/h8-10H,6-7H2,1-5H3
InChIKeyOWFJDCFAAZLOGD-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.98
Rot. Bonds4

About 1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one

1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one (PubChem CID 82053491) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one
PubChem CID82053491
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one
SMILESCCOc1ccc(C(C)(C)C)cc1C(=O)CC
InChIInChI=1S/C15H22O2/c1-6-13(16)12-10-11(15(3,4)5)8-9-14(12)17-7-2/h8-10H,6-7H2,1-5H3
InChIKeyOWFJDCFAAZLOGD-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-tert-butyl-2-ethoxyphenyl)-2-propylsulfanylethanone
CID 82053513
4-(5-tert-butyl-2-ethoxyphenyl)-5-methylhexan-3-one
CID 83935471
1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one
CID 82053867
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
CID 82553794
1-(2-amino-4-tert-butylphenyl)propan-1-one
CID 23265761
1,2-bis(5-tert-butyl-2-octoxyphenyl)ethane-1,2-dione
CID 141165582
2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 4992587
5-tert-butyl-2-ethoxy-N-methylaniline
CID 82264357
1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one
CID 134105467
ethyl 5-tert-butyl-2-ethoxycarbonyloxybenzoate
CID 122517402
3-(5-tert-butyl-2-ethoxyphenyl)hexanoic acid
CID 83958349

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one?
The IUPAC name of 1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one (CID 82053491) is 1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one?
The canonical SMILES for 1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one is CCOc1ccc(C(C)(C)C)cc1C(=O)CC.
What is the InChIKey of 1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one?
The InChIKey is OWFJDCFAAZLOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-13(16)12-10-11(15(3,4)5)8-9-14(12)17-7-2/h8-10H,6-7H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one?
1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one is sourced from PubChem (CID 82053491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).