4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one

C21H20O4 — CID 178114081

IUPAC4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OC(/C=C/c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C21H20O4/c1-23-20-13-19(25-21(22)14-20)12-9-16-7-10-18(11-8-16)24-15-17-5-3-2-4-6-17/h2-12,14,19H,13,15H2,1H3/b12-9+
InChIKeyHUPCZKSYGZWBSD-FMIVXFBMSA-N
MW336.39 g/mol
LogP4.12
Rot. Bonds6

About 4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one

4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one (PubChem CID 178114081) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one
PubChem CID178114081
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Name4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)OC(/C=C/c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C21H20O4/c1-23-20-13-19(25-21(22)14-20)12-9-16-7-10-18(11-8-16)24-15-17-5-3-2-4-6-17/h2-12,14,19H,13,15H2,1H3/b12-9+
InChIKeyHUPCZKSYGZWBSD-FMIVXFBMSA-N
XLogP4.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one;(2S)-2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one;4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one;(2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one;4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one;(2S)-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
CID 159887384
5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione
CID 134716508
(1E,4Z,6E)-5-hydroxy-7-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)hepta-1,4,6-trien-3-one
CID 127027135
(2S)-2-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-4-methoxy-2,3-dihydropyran-6-one
CID 57417017
(2Z,6E)-4-methyl-2,6-bis[(4-phenylmethoxyphenyl)methylidene]cyclohexan-1-one
CID 17386127
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
(2R)-4-methoxy-5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 163190912
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 53395274
2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
CID 123614414
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one?
The IUPAC name of 4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one (CID 178114081) is 4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one?
The canonical SMILES for 4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one is COC1=CC(=O)OC(/C=C/c2ccc(OCc3ccccc3)cc2)C1.
What is the InChIKey of 4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one?
The InChIKey is HUPCZKSYGZWBSD-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H20O4/c1-23-20-13-19(25-21(22)14-20)12-9-16-7-10-18(11-8-16)24-15-17-5-3-2-4-6-17/h2-12,14,19H,13,15H2,1H3/b12-9+.
What are the key properties of 4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one?
4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one has a molecular weight of 336.39 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 178114081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).