3,4-dihydro-2H-pyran-6-yl-(2,4-dimethoxyphenyl)methanone

C14H16O4 — CID 102648620

IUPAC3,4-dihydro-2H-pyran-6-yl-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2=CCCCO2)c(OC)c1
InChIInChI=1S/C14H16O4/c1-16-10-6-7-11(13(9-10)17-2)14(15)12-5-3-4-8-18-12/h5-7,9H,3-4,8H2,1-2H3
InChIKeyNGINNDSTVYAWAN-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.58
Rot. Bonds4

About 3,4-dihydro-2H-pyran-6-yl-(2,4-dimethoxyphenyl)methanone

3,4-dihydro-2H-pyran-6-yl-(2,4-dimethoxyphenyl)methanone (PubChem CID 102648620) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2,4-dimethoxyphenyl)methanone
PubChem CID102648620
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2=CCCCO2)c(OC)c1
InChIInChI=1S/C14H16O4/c1-16-10-6-7-11(13(9-10)17-2)14(15)12-5-3-4-8-18-12/h5-7,9H,3-4,8H2,1-2H3
InChIKeyNGINNDSTVYAWAN-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

2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
(2,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanethione
CID 879066
(2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate
CID 171476388
(2,4-dimethoxyphenyl)-piperidin-1-ylmethanethione
CID 15398722
2,4-dimethoxybenzoate
CID 6947027
(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
CID 116750527
CID 159051946
CID 159051946
(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone
CID 106690992
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
(2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone
CID 877252
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2,4-dimethoxyphenyl)methanone (CID 102648620) is 3,4-dihydro-2H-pyran-6-yl-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)C2=CCCCO2)c(OC)c1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2,4-dimethoxyphenyl)methanone?
The InChIKey is NGINNDSTVYAWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-16-10-6-7-11(13(9-10)17-2)14(15)12-5-3-4-8-18-12/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2,4-dimethoxyphenyl)methanone?
3,4-dihydro-2H-pyran-6-yl-(2,4-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-6-yl-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 102648620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).