4-hydroxy-1-(4-phenoxyphenyl)butan-1-one

C16H16O3 — CID 98016741

IUPAC4-hydroxy-1-(4-phenoxyphenyl)butan-1-one
SMILESO=C(CCCO)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H16O3/c17-12-4-7-16(18)13-8-10-15(11-9-13)19-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12H2
InChIKeyGGPLRTJFCIWJOC-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.43
Rot. Bonds6

About 4-hydroxy-1-(4-phenoxyphenyl)butan-1-one

4-hydroxy-1-(4-phenoxyphenyl)butan-1-one (PubChem CID 98016741) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-hydroxy-1-(4-phenoxyphenyl)butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-phenoxyphenyl)butan-1-one
PubChem CID98016741
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name4-hydroxy-1-(4-phenoxyphenyl)butan-1-one
SMILESO=C(CCCO)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H16O3/c17-12-4-7-16(18)13-8-10-15(11-9-13)19-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12H2
InChIKeyGGPLRTJFCIWJOC-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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12-hydroxy-1-phenyldodecan-1-one
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4-phenoxybenzoic acid;hydrochloride
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4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one
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CID 71345622
3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one
CID 43337660
5-oxo-5-(3-phenoxyphenyl)pentanoic acid
CID 11659220
2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone
CID 158282990
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-phenoxyphenyl)butan-1-one?
The IUPAC name of 4-hydroxy-1-(4-phenoxyphenyl)butan-1-one (CID 98016741) is 4-hydroxy-1-(4-phenoxyphenyl)butan-1-one.
What is the SMILES notation for 4-hydroxy-1-(4-phenoxyphenyl)butan-1-one?
The canonical SMILES for 4-hydroxy-1-(4-phenoxyphenyl)butan-1-one is O=C(CCCO)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-hydroxy-1-(4-phenoxyphenyl)butan-1-one?
The InChIKey is GGPLRTJFCIWJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-12-4-7-16(18)13-8-10-15(11-9-13)19-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12H2.
What are the key properties of 4-hydroxy-1-(4-phenoxyphenyl)butan-1-one?
4-hydroxy-1-(4-phenoxyphenyl)butan-1-one has a molecular weight of 256.30 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-phenoxyphenyl)butan-1-one is sourced from PubChem (CID 98016741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).