4-methoxy-6-(2-phenylethenyl)-3,4-dihydropyran-2-one

C14H14O3 — CID 162951982

IUPAC4-methoxy-6-(2-phenylethenyl)-3,4-dihydropyran-2-one
SMILESCOC1C=C(C=Cc2ccccc2)OC(=O)C1
InChIInChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-9,13H,10H2,1H3
InChIKeySAGHRZGOMJHCOS-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.55
Rot. Bonds3

About 4-methoxy-6-(2-phenylethenyl)-3,4-dihydropyran-2-one

4-methoxy-6-(2-phenylethenyl)-3,4-dihydropyran-2-one (PubChem CID 162951982) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-methoxy-6-(2-phenylethenyl)-3,4-dihydropyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-(2-phenylethenyl)-3,4-dihydropyran-2-one
PubChem CID162951982
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name4-methoxy-6-(2-phenylethenyl)-3,4-dihydropyran-2-one
SMILESCOC1C=C(C=Cc2ccccc2)OC(=O)C1
InChIInChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-9,13H,10H2,1H3
InChIKeySAGHRZGOMJHCOS-UHFFFAOYSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
acetic acid;stilbene
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(2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 163190912
5-[(E)-4-phenylbut-3-enyl]oxolan-3-one
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(3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one
CID 67831878
(4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
CID 10465961
3-methyl-2-[(E)-2-phenylethenyl]cyclopent-2-en-1-one
CID 12856960
CID 70569152
CID 70569152
CID 70567885
CID 70567885
(3aS,4R,6aS)-4-[(E)-2-phenylethenyl]-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione
CID 102049388
(4R)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one
CID 131854134

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2-phenylethenyl)-3,4-dihydropyran-2-one?
The IUPAC name of 4-methoxy-6-(2-phenylethenyl)-3,4-dihydropyran-2-one (CID 162951982) is 4-methoxy-6-(2-phenylethenyl)-3,4-dihydropyran-2-one.
What is the SMILES notation for 4-methoxy-6-(2-phenylethenyl)-3,4-dihydropyran-2-one?
The canonical SMILES for 4-methoxy-6-(2-phenylethenyl)-3,4-dihydropyran-2-one is COC1C=C(C=Cc2ccccc2)OC(=O)C1.
What is the InChIKey of 4-methoxy-6-(2-phenylethenyl)-3,4-dihydropyran-2-one?
The InChIKey is SAGHRZGOMJHCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-9,13H,10H2,1H3.
What are the key properties of 4-methoxy-6-(2-phenylethenyl)-3,4-dihydropyran-2-one?
4-methoxy-6-(2-phenylethenyl)-3,4-dihydropyran-2-one has a molecular weight of 230.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2-phenylethenyl)-3,4-dihydropyran-2-one is sourced from PubChem (CID 162951982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).