1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one

C18H20O2 — CID 139394409

IUPAC1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one
SMILESCCOCc1ccc(CC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-2-20-14-17-10-8-16(9-11-17)13-18(19)12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3
InChIKeyARYOWUWEHBSWNU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.58
Rot. Bonds7

About 1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one

1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one (PubChem CID 139394409) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one
PubChem CID139394409
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one
SMILESCCOCc1ccc(CC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-2-20-14-17-10-8-16(9-11-17)13-18(19)12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3
InChIKeyARYOWUWEHBSWNU-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-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

(213C)ethoxymethylbenzene
CID 87947851
1-[4-(ethoxymethyl)phenyl]propan-2-one
CID 83878087
1,3-diphenyl(213C)propan-2-one
CID 100945080
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 159058422
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 167578330
1-phenyl-4-phenylmethoxybutan-2-one
CID 134894703
acetic acid;phenylmethoxymethylbenzene
CID 175214238
ethoxymethylbenzene;propylbenzene
CID 174975433
2-[4-(ethoxymethyl)phenyl]propanoic acid
CID 83883711
[4-(ethoxymethyl)phenyl]methoxymethanol
CID 144565304
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
sodium;hydride;2-phenylmethoxyacetic acid
CID 174345523

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one?
The IUPAC name of 1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one (CID 139394409) is 1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one?
The canonical SMILES for 1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one is CCOCc1ccc(CC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one?
The InChIKey is ARYOWUWEHBSWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-20-14-17-10-8-16(9-11-17)13-18(19)12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3.
What are the key properties of 1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one?
1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one is sourced from PubChem (CID 139394409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).