(4-ethoxyphenyl)-(2-propoxyphenyl)methanone

C18H20O3 — CID 115800643

IUPAC(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1ccc(OCC)cc1
InChIInChI=1S/C18H20O3/c1-3-13-21-17-8-6-5-7-16(17)18(19)14-9-11-15(12-10-14)20-4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyMBWGTMHVEODBCC-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.11
Rot. Bonds7

About (4-ethoxyphenyl)-(2-propoxyphenyl)methanone

(4-ethoxyphenyl)-(2-propoxyphenyl)methanone (PubChem CID 115800643) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(2-propoxyphenyl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
PubChem CID115800643
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1ccc(OCC)cc1
InChIInChI=1S/C18H20O3/c1-3-13-21-17-8-6-5-7-16(17)18(19)14-9-11-15(12-10-14)20-4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyMBWGTMHVEODBCC-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-(2-propoxyphenyl)methanone
CID 15556308
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
(2-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43161508
(2-ethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005373
2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid
CID 20992517
(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800817
1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
CID 2284019
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800840
(4-acetylphenyl) 2-propoxybenzoate
CID 23011739
(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800762
N-[(4-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931427

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(2-propoxyphenyl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(2-propoxyphenyl)methanone (CID 115800643) is (4-ethoxyphenyl)-(2-propoxyphenyl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(2-propoxyphenyl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(2-propoxyphenyl)methanone is CCCOc1ccccc1C(=O)c1ccc(OCC)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(2-propoxyphenyl)methanone?
The InChIKey is MBWGTMHVEODBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-13-21-17-8-6-5-7-16(17)18(19)14-9-11-15(12-10-14)20-4-2/h5-12H,3-4,13H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-(2-propoxyphenyl)methanone?
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone has a molecular weight of 284.36 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(2-propoxyphenyl)methanone is sourced from PubChem (CID 115800643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).