1-[3-(4-ethoxyphenyl)phenyl]propan-1-one

C17H18O2 — CID 54912382

IUPAC1-[3-(4-ethoxyphenyl)phenyl]propan-1-one
SMILESCCOc1ccc(-c2cccc(C(=O)CC)c2)cc1
InChIInChI=1S/C17H18O2/c1-3-17(18)15-7-5-6-14(12-15)13-8-10-16(11-9-13)19-4-2/h5-12H,3-4H2,1-2H3
InChIKeyURCAHSOPPMSWDY-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.34
Rot. Bonds5

About 1-[3-(4-ethoxyphenyl)phenyl]propan-1-one

1-[3-(4-ethoxyphenyl)phenyl]propan-1-one (PubChem CID 54912382) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[3-(4-ethoxyphenyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-ethoxyphenyl)phenyl]propan-1-one
PubChem CID54912382
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-[3-(4-ethoxyphenyl)phenyl]propan-1-one
SMILESCCOc1ccc(-c2cccc(C(=O)CC)c2)cc1
InChIInChI=1S/C17H18O2/c1-3-17(18)15-7-5-6-14(12-15)13-8-10-16(11-9-13)19-4-2/h5-12H,3-4H2,1-2H3
InChIKeyURCAHSOPPMSWDY-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one
CID 94278974
[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 162660899
1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one
CID 54912702
[4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone
CID 119069998
1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one
CID 114522522
1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one
CID 61033997
1-[4-(4-phenylphenoxy)phenyl]propan-1-one
CID 18364107
4-(4-ethoxyphenyl)benzamide
CID 163572533
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-[3-(1H-pyrrol-2-yl)phenyl]propan-1-one
CID 103341584

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethoxyphenyl)phenyl]propan-1-one?
The IUPAC name of 1-[3-(4-ethoxyphenyl)phenyl]propan-1-one (CID 54912382) is 1-[3-(4-ethoxyphenyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-(4-ethoxyphenyl)phenyl]propan-1-one?
The canonical SMILES for 1-[3-(4-ethoxyphenyl)phenyl]propan-1-one is CCOc1ccc(-c2cccc(C(=O)CC)c2)cc1.
What is the InChIKey of 1-[3-(4-ethoxyphenyl)phenyl]propan-1-one?
The InChIKey is URCAHSOPPMSWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-17(18)15-7-5-6-14(12-15)13-8-10-16(11-9-13)19-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-[3-(4-ethoxyphenyl)phenyl]propan-1-one?
1-[3-(4-ethoxyphenyl)phenyl]propan-1-one has a molecular weight of 254.33 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethoxyphenyl)phenyl]propan-1-one is sourced from PubChem (CID 54912382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).