2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one

C15H18O3 — CID 11075746

IUPAC2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one
SMILESO=C1C=COC(CCCOCc2ccccc2)C1
InChIInChI=1S/C15H18O3/c16-14-8-10-18-15(11-14)7-4-9-17-12-13-5-2-1-3-6-13/h1-3,5-6,8,10,15H,4,7,9,11-12H2
InChIKeyYNKHHCNTBVZTDB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.86
Rot. Bonds6

About 2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one

2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one (PubChem CID 11075746) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one
PubChem CID11075746
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one
SMILESO=C1C=COC(CCCOCc2ccccc2)C1
InChIInChI=1S/C15H18O3/c16-14-8-10-18-15(11-14)7-4-9-17-12-13-5-2-1-3-6-13/h1-3,5-6,8,10,15H,4,7,9,11-12H2
InChIKeyYNKHHCNTBVZTDB-UHFFFAOYSA-N
XLogP2.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-phenylethyl)-2,3-dihydropyran-4-one
CID 11171675
3-(3-phenylmethoxypropyl)oxolan-2-one
CID 177135266
(4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one
CID 132584785
(4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one
CID 101081018
trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde
CID 135039485
2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
CID 10588392
5-(3-phenylmethoxypropyl)piperidine-2,4-dione
CID 69075313
(5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one
CID 10923310
(2S,8S)-2,8-bis(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecane-4,10-dione
CID 10671347
2-(2-phenylmethoxybutan-2-yl)-2,3-dihydropyran-4-one
CID 177460462
2-phenyl-3-(3-phenylmethoxypropyl)oxirane
CID 13389573
(3R)-3-(3-phenylmethoxypropyl)piperidin-2-one
CID 118421052

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one?
The IUPAC name of 2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one (CID 11075746) is 2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one?
The canonical SMILES for 2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one is O=C1C=COC(CCCOCc2ccccc2)C1.
What is the InChIKey of 2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one?
The InChIKey is YNKHHCNTBVZTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c16-14-8-10-18-15(11-14)7-4-9-17-12-13-5-2-1-3-6-13/h1-3,5-6,8,10,15H,4,7,9,11-12H2.
What are the key properties of 2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one?
2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one has a molecular weight of 246.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 11075746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).