(4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone

C17H24O4 — CID 116748889

IUPAC(4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCCOC1(C(=O)c2cccc(OC(C)C)c2)CCOCC1
InChIInChI=1S/C17H24O4/c1-4-20-17(8-10-19-11-9-17)16(18)14-6-5-7-15(12-14)21-13(2)3/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyNCSNHLLDMUCSJF-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.24
Rot. Bonds6

About (4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone

(4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone (PubChem CID 116748889) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone
PubChem CID116748889
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCCOC1(C(=O)c2cccc(OC(C)C)c2)CCOCC1
InChIInChI=1S/C17H24O4/c1-4-20-17(8-10-19-11-9-17)16(18)14-6-5-7-15(12-14)21-13(2)3/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyNCSNHLLDMUCSJF-UHFFFAOYSA-N
XLogP3.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116748922
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116749027
(4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone
CID 116748823
(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 114521280
(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone
CID 116748926
(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116810111
(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116550565
3-ethyl-1-(3-propan-2-yloxyphenyl)pent-2-en-1-one
CID 103458915
(3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 107559961
(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
CID 116748270
2-hydroxy-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 103453162
(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
CID 116748314

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of (4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone (CID 116748889) is (4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone is CCOC1(C(=O)c2cccc(OC(C)C)c2)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is NCSNHLLDMUCSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-4-20-17(8-10-19-11-9-17)16(18)14-6-5-7-15(12-14)21-13(2)3/h5-7,12-13H,4,8-11H2,1-3H3.
What are the key properties of (4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone?
(4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 292.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 116748889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).