(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone

C17H18O2 — CID 82628812

IUPAC(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
SMILESCCOc1cc(C)c(C(=O)c2ccccc2)cc1C
InChIInChI=1S/C17H18O2/c1-4-19-16-11-12(2)15(10-13(16)3)17(18)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3
InChIKeySLLCVVZIZOZNBW-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.93
Rot. Bonds4

About (4-ethoxy-2,5-dimethylphenyl)-phenylmethanone

(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone (PubChem CID 82628812) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (4-ethoxy-2,5-dimethylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
PubChem CID82628812
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
SMILESCCOc1cc(C)c(C(=O)c2ccccc2)cc1C
InChIInChI=1S/C17H18O2/c1-4-19-16-11-12(2)15(10-13(16)3)17(18)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3
InChIKeySLLCVVZIZOZNBW-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-ethoxy-2,5-dimethylphenyl)-phenylmethanone 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

(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
CID 43340750
(2-bromo-4,5-diethoxyphenyl)-phenylmethanone
CID 43162233
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
(4-amino-2-ethoxyphenyl)-phenylmethanone
CID 23323350
1-(4-benzoyl-3-ethoxyphenyl)prop-2-en-1-one
CID 90156822
2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide
CID 82116584
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
[5-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)methyl]-4-ethoxy-2-hydroxyphenyl]-phenylmethanone
CID 22643675
2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
CID 82048712
1-(4-ethoxy-2,5-dimethylphenyl)-2-sulfanylethanone
CID 82128115
1-(4-ethoxy-2,5-dimethylphenyl)butane-1,2-dione
CID 94686162
(2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone
CID 143779063

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2,5-dimethylphenyl)-phenylmethanone?
The IUPAC name of (4-ethoxy-2,5-dimethylphenyl)-phenylmethanone (CID 82628812) is (4-ethoxy-2,5-dimethylphenyl)-phenylmethanone.
What is the SMILES notation for (4-ethoxy-2,5-dimethylphenyl)-phenylmethanone?
The canonical SMILES for (4-ethoxy-2,5-dimethylphenyl)-phenylmethanone is CCOc1cc(C)c(C(=O)c2ccccc2)cc1C.
What is the InChIKey of (4-ethoxy-2,5-dimethylphenyl)-phenylmethanone?
The InChIKey is SLLCVVZIZOZNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-4-19-16-11-12(2)15(10-13(16)3)17(18)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3.
What are the key properties of (4-ethoxy-2,5-dimethylphenyl)-phenylmethanone?
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone has a molecular weight of 254.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2,5-dimethylphenyl)-phenylmethanone is sourced from PubChem (CID 82628812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).