3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone

C14H16O4 — CID 115798163

IUPAC3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)C2=COCCC2)c1
InChIInChI=1S/C14H16O4/c1-16-11-5-6-13(17-2)12(8-11)14(15)10-4-3-7-18-9-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyVTHLFWFVWXBLKX-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.58
Rot. Bonds4

About 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone

3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone (PubChem CID 115798163) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone
PubChem CID115798163
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)C2=COCCC2)c1
InChIInChI=1S/C14H16O4/c1-16-11-5-6-13(17-2)12(8-11)14(15)10-4-3-7-18-9-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyVTHLFWFVWXBLKX-UHFFFAOYSA-N
XLogP2.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethoxyphenyl)methanone
CID 115814359
(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43462543
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
(2,5-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 23913459
(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone
CID 116826400
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone
CID 105098338
(2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
CID 24723535
(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
CID 15888023
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone
CID 62077963
(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462545

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone (CID 115798163) is 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone is COc1ccc(OC)c(C(=O)C2=COCCC2)c1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone?
The InChIKey is VTHLFWFVWXBLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-16-11-5-6-13(17-2)12(8-11)14(15)10-4-3-7-18-9-10/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone?
3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone has a molecular weight of 248.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 115798163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).