1-(4-phenylmethoxyphenyl)pentan-3-one

C18H20O2 — CID 18798710

IUPAC1-(4-phenylmethoxyphenyl)pentan-3-one
SMILESCCC(=O)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-2-17(19)11-8-15-9-12-18(13-10-15)20-14-16-6-4-3-5-7-16/h3-7,9-10,12-13H,2,8,11,14H2,1H3
InChIKeyDMZSRZUDIBXTIL-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.18
Rot. Bonds7

About 1-(4-phenylmethoxyphenyl)pentan-3-one

1-(4-phenylmethoxyphenyl)pentan-3-one (PubChem CID 18798710) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)pentan-3-one.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)pentan-3-one
PubChem CID18798710
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(4-phenylmethoxyphenyl)pentan-3-one
SMILESCCC(=O)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-2-17(19)11-8-15-9-12-18(13-10-15)20-14-16-6-4-3-5-7-16/h3-7,9-10,12-13H,2,8,11,14H2,1H3
InChIKeyDMZSRZUDIBXTIL-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 19903100
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
CID 146002662
2-(4-phenylmethoxyphenyl)ethyl butanoate
CID 67494063
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
1-(iodomethyl)-4-phenylmethoxybenzene;oxolane;pentane-2,4-dione;6-(4-phenylmethoxyphenyl)hexane-2,4-dione
CID 161342425
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
3-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 143233810

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)pentan-3-one?
The IUPAC name of 1-(4-phenylmethoxyphenyl)pentan-3-one (CID 18798710) is 1-(4-phenylmethoxyphenyl)pentan-3-one.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)pentan-3-one?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)pentan-3-one is CCC(=O)CCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)pentan-3-one?
The InChIKey is DMZSRZUDIBXTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-17(19)11-8-15-9-12-18(13-10-15)20-14-16-6-4-3-5-7-16/h3-7,9-10,12-13H,2,8,11,14H2,1H3.
What are the key properties of 1-(4-phenylmethoxyphenyl)pentan-3-one?
1-(4-phenylmethoxyphenyl)pentan-3-one has a molecular weight of 268.36 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)pentan-3-one is sourced from PubChem (CID 18798710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).