1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone

C16H18N2O4 — CID 172651144

IUPAC1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone
SMILESCOCCOc1ccc(C(C)=O)cc1-c1cnc(OC)nc1
InChIInChI=1S/C16H18N2O4/c1-11(19)12-4-5-15(22-7-6-20-2)14(8-12)13-9-17-16(21-3)18-10-13/h4-5,8-10H,6-7H2,1-3H3
InChIKeyBIKICQUZVYOXRD-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.38
Rot. Bonds7

About 1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone

1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone (PubChem CID 172651144) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone
PubChem CID172651144
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone
SMILESCOCCOc1ccc(C(C)=O)cc1-c1cnc(OC)nc1
InChIInChI=1S/C16H18N2O4/c1-11(19)12-4-5-15(22-7-6-20-2)14(8-12)13-9-17-16(21-3)18-10-13/h4-5,8-10H,6-7H2,1-3H3
InChIKeyBIKICQUZVYOXRD-UHFFFAOYSA-N
XLogP2.38
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methoxyethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651121
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
1-(3-butoxy-4-methoxyphenyl)ethanone
CID 21189688
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241
4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid
CID 167904888
4-(2-methoxyethoxy)-3-methylbenzoic acid
CID 58551370
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
1-[4-(2,2-difluoroethoxy)-3-pyridin-3-ylphenyl]ethanone
CID 172651092
6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
CID 62029689
1-[3-methyl-4-(3-methylbutoxy)phenyl]ethanone
CID 91636342
1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone
CID 112788064
1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone
CID 163344818

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone (CID 172651144) is 1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone is COCCOc1ccc(C(C)=O)cc1-c1cnc(OC)nc1.
What is the InChIKey of 1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone?
The InChIKey is BIKICQUZVYOXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11(19)12-4-5-15(22-7-6-20-2)14(8-12)13-9-17-16(21-3)18-10-13/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone?
1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone has a molecular weight of 302.33 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)-3-(2-methoxypyrimidin-5-yl)phenyl]ethanone is sourced from PubChem (CID 172651144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).