1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone

C14H18O4 — CID 62799914

IUPAC1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)C1COCCO1
InChIInChI=1S/C14H18O4/c1-3-17-12-5-4-10(2)8-11(12)14(15)13-9-16-6-7-18-13/h4-5,8,13H,3,6-7,9H2,1-2H3
InChIKeyNZHOXOHTJBUQBM-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.99
Rot. Bonds4

About 1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone

1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone (PubChem CID 62799914) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone
PubChem CID62799914
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)C1COCCO1
InChIInChI=1S/C14H18O4/c1-3-17-12-5-4-10(2)8-11(12)14(15)13-9-16-6-7-18-13/h4-5,8,13H,3,6-7,9H2,1-2H3
InChIKeyNZHOXOHTJBUQBM-UHFFFAOYSA-N
XLogP1.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-4,5-diethoxyphenyl)-(1,4-dioxan-2-yl)methanone
CID 62799898
(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
CID 62302314
1,4-dioxan-2-yl-(6-methyl-1H-indol-3-yl)methanone
CID 62799734
2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone
CID 63497649
(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
(5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone
CID 62213865
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905
(4-ethoxy-3-methylphenyl)-(oxiran-2-yl)methanone
CID 116826439
N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide
CID 84613985
1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone
CID 130964889
(2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone
CID 62799546
(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81110926

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone?
The IUPAC name of 1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone (CID 62799914) is 1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone.
What is the SMILES notation for 1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone?
The canonical SMILES for 1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone is CCOc1ccc(C)cc1C(=O)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone?
The InChIKey is NZHOXOHTJBUQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-17-12-5-4-10(2)8-11(12)14(15)13-9-16-6-7-18-13/h4-5,8,13H,3,6-7,9H2,1-2H3.
What are the key properties of 1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone?
1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone has a molecular weight of 250.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone is sourced from PubChem (CID 62799914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).