2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one

C18H16O3 — CID 56668686

IUPAC2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(c2ccc(OCc3ccccc3)cc2)O1
InChIInChI=1S/C18H16O3/c19-18-8-4-7-17(21-18)15-9-11-16(12-10-15)20-13-14-5-2-1-3-6-14/h1-6,8-12,17H,7,13H2
InChIKeyCFFZNIVAIKKDFT-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.81
Rot. Bonds4

About 2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one

2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one (PubChem CID 56668686) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one
PubChem CID56668686
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(c2ccc(OCc3ccccc3)cc2)O1
InChIInChI=1S/C18H16O3/c19-18-8-4-7-17(21-18)15-9-11-16(12-10-15)20-13-14-5-2-1-3-6-14/h1-6,8-12,17H,7,13H2
InChIKeyCFFZNIVAIKKDFT-UHFFFAOYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one
CID 54587409
(6R)-4-ethyl-6-(4-phenylmethoxyphenyl)morpholin-3-one
CID 67354065
(2R)-6-phenylmethoxy-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
CID 142956928
4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde
CID 174661002
(6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one
CID 67352063
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
CID 125154534
(2R)-2-(4-phenylmethoxyphenyl)morpholine-4-carboxylic acid
CID 68617082
(4-phenylmethoxyphenyl) hypobromite
CID 151898979

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one (CID 56668686) is 2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one is O=C1C=CCC(c2ccc(OCc3ccccc3)cc2)O1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one?
The InChIKey is CFFZNIVAIKKDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c19-18-8-4-7-17(21-18)15-9-11-16(12-10-15)20-13-14-5-2-1-3-6-14/h1-6,8-12,17H,7,13H2.
What are the key properties of 2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one?
2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one has a molecular weight of 280.32 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 56668686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).