1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one

C18H20O3 — CID 82053444

IUPAC1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one
SMILESCCOc1ccc(-c2ccc(C(=O)CCOC)cc2)cc1
InChIInChI=1S/C18H20O3/c1-3-21-17-10-8-15(9-11-17)14-4-6-16(7-5-14)18(19)12-13-20-2/h4-11H,3,12-13H2,1-2H3
InChIKeyLFJZGRBZARFQGB-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.97
Rot. Bonds7

About 1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one

1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one (PubChem CID 82053444) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one
PubChem CID82053444
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one
SMILESCCOc1ccc(-c2ccc(C(=O)CCOC)cc2)cc1
InChIInChI=1S/C18H20O3/c1-3-21-17-10-8-15(9-11-17)14-4-6-16(7-5-14)18(19)12-13-20-2/h4-11H,3,12-13H2,1-2H3
InChIKeyLFJZGRBZARFQGB-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050414
bis(1-[4-[(4-acetylphenyl)diazenyl]phenyl]-3-methoxypropan-1-one);[4-[4-(4-methoxybenzoyl)phenyl]phenyl] 4-ethoxybenzoate
CID 91509351
4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
CID 105093941
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
4-(4-ethoxyphenyl)benzamide
CID 163572533
1-[4-(2,3-dihydroxypropoxy)phenyl]-3-methoxypropan-1-one
CID 21117733
3-methoxy-1-(4-phenoxyphenyl)propan-1-one
CID 82051058
1-(4-ethoxyphenyl)dodecan-1-one
CID 146006535
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
1-(4-ethoxyphenyl)-4-(methylamino)butan-1-one
CID 116555513
1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one
CID 94258495

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one?
The IUPAC name of 1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one (CID 82053444) is 1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one is CCOc1ccc(-c2ccc(C(=O)CCOC)cc2)cc1.
What is the InChIKey of 1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one?
The InChIKey is LFJZGRBZARFQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-21-17-10-8-15(9-11-17)14-4-6-16(7-5-14)18(19)12-13-20-2/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one?
1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one has a molecular weight of 284.36 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one is sourced from PubChem (CID 82053444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).