1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one

C14H14O2 — CID 71377802

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)C1=CCCCO1
InChIInChI=1S/C14H14O2/c15-13(14-8-4-5-11-16-14)10-9-12-6-2-1-3-7-12/h1-3,6-10H,4-5,11H2
InChIKeyYBKHUCCRHKHEQK-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.96
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one

1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one (PubChem CID 71377802) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one
PubChem CID71377802
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)C1=CCCCO1
InChIInChI=1S/C14H14O2/c15-13(14-8-4-5-11-16-14)10-9-12-6-2-1-3-7-12/h1-3,6-10H,4-5,11H2
InChIKeyYBKHUCCRHKHEQK-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
(E)-1-(2,3,4,5,6,7-hexahydro-1,8-benzodioxecin-10-yl)-3-phenylprop-2-en-1-one
CID 6025416
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
CID 131855579
CID 131855579
azane;3-phenylprop-2-enoic acid
CID 66894546
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylprop-2-en-1-one
CID 5150631
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one
CID 6221715

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one (CID 71377802) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one is O=C(C=Cc1ccccc1)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one?
The InChIKey is YBKHUCCRHKHEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c15-13(14-8-4-5-11-16-14)10-9-12-6-2-1-3-7-12/h1-3,6-10H,4-5,11H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one has a molecular weight of 214.26 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 71377802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).