3-methoxy-1-(4-phenoxyphenyl)propan-1-one

C16H16O3 — CID 82051058

IUPAC3-methoxy-1-(4-phenoxyphenyl)propan-1-one
SMILESCOCCC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-18-12-11-16(17)13-7-9-15(10-8-13)19-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyKVIVAWXFNGUOHZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.70
Rot. Bonds6

About 3-methoxy-1-(4-phenoxyphenyl)propan-1-one

3-methoxy-1-(4-phenoxyphenyl)propan-1-one (PubChem CID 82051058) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-methoxy-1-(4-phenoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-(4-phenoxyphenyl)propan-1-one
PubChem CID82051058
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-methoxy-1-(4-phenoxyphenyl)propan-1-one
SMILESCOCCC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-18-12-11-16(17)13-7-9-15(10-8-13)19-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyKVIVAWXFNGUOHZ-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-phenylpropan-1-one
CID 10942788
4-hydroxy-1-(4-phenoxyphenyl)butan-1-one
CID 98016741
2-fluoro-1-(4-phenoxyphenyl)ethanone
CID 141218544
2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone
CID 158282990
3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050414
1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one
CID 82053444
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
1,7-bis(4-phenoxyphenyl)heptan-1-one
CID 130400108
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone
CID 102402149
1-(4-phenoxyphenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
CID 15870243

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-phenoxyphenyl)propan-1-one?
The IUPAC name of 3-methoxy-1-(4-phenoxyphenyl)propan-1-one (CID 82051058) is 3-methoxy-1-(4-phenoxyphenyl)propan-1-one.
What is the SMILES notation for 3-methoxy-1-(4-phenoxyphenyl)propan-1-one?
The canonical SMILES for 3-methoxy-1-(4-phenoxyphenyl)propan-1-one is COCCC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-methoxy-1-(4-phenoxyphenyl)propan-1-one?
The InChIKey is KVIVAWXFNGUOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-12-11-16(17)13-7-9-15(10-8-13)19-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 3-methoxy-1-(4-phenoxyphenyl)propan-1-one?
3-methoxy-1-(4-phenoxyphenyl)propan-1-one has a molecular weight of 256.30 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-phenoxyphenyl)propan-1-one is sourced from PubChem (CID 82051058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).