1-(4-phenylphenoxy)butan-2-one

C16H16O2 — CID 62041258

IUPAC1-(4-phenylphenoxy)butan-2-one
SMILESCCC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-2-15(17)12-18-16-10-8-14(9-11-16)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyZNJZFZXHJITUPN-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.71
Rot. Bonds5

About 1-(4-phenylphenoxy)butan-2-one

1-(4-phenylphenoxy)butan-2-one (PubChem CID 62041258) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(4-phenylphenoxy)butan-2-one.

Molecular Properties

Compound Name1-(4-phenylphenoxy)butan-2-one
PubChem CID62041258
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-(4-phenylphenoxy)butan-2-one
SMILESCCC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-2-15(17)12-18-16-10-8-14(9-11-16)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyZNJZFZXHJITUPN-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
CID 19177827
2-[(4-phenylphenoxy)methyl]prop-2-enoic acid
CID 13368547
propan-2-yl 2-(4-phenylphenoxy)acetate
CID 2791913
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977
(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate
CID 19179210
1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one
CID 71395392
2-[4-(N-[4-[4-(N-[4-(carboxymethoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]acetic acid
CID 102587627
(2,3,4,5,6-pentafluorophenyl) 2-(4-phenylphenoxy)acetate
CID 87804804
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
1-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62040002
2-[[2-(4-phenylphenoxy)acetyl]amino]-N-propylacetamide
CID 9163146
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenoxy)butan-2-one?
The IUPAC name of 1-(4-phenylphenoxy)butan-2-one (CID 62041258) is 1-(4-phenylphenoxy)butan-2-one.
What is the SMILES notation for 1-(4-phenylphenoxy)butan-2-one?
The canonical SMILES for 1-(4-phenylphenoxy)butan-2-one is CCC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenoxy)butan-2-one?
The InChIKey is ZNJZFZXHJITUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-15(17)12-18-16-10-8-14(9-11-16)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3.
What are the key properties of 1-(4-phenylphenoxy)butan-2-one?
1-(4-phenylphenoxy)butan-2-one has a molecular weight of 240.30 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenoxy)butan-2-one is sourced from PubChem (CID 62041258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).