1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone

C22H18Cl2O3 — CID 91871409

IUPAC1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(OCc3cc(Cl)ccc3Cl)cc2O)cc1
InChIInChI=1S/C22H18Cl2O3/c1-14-2-4-15(5-3-14)10-21(25)19-8-7-18(12-22(19)26)27-13-16-11-17(23)6-9-20(16)24/h2-9,11-12,26H,10,13H2,1H3
InChIKeyRJGYYCZMBPPHBW-UHFFFAOYSA-N
MW401.29 g/mol
LogP6.01
Rot. Bonds6

About 1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone

1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone (PubChem CID 91871409) has the molecular formula C22H18Cl2O3 and a molecular weight of 401.29 g/mol. Its IUPAC name is 1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
PubChem CID91871409
Molecular FormulaC22H18Cl2O3
Molecular Weight401.29 g/mol
Exact Mass400.06
IUPAC Name1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(OCc3cc(Cl)ccc3Cl)cc2O)cc1
InChIInChI=1S/C22H18Cl2O3/c1-14-2-4-15(5-3-14)10-21(25)19-8-7-18(12-22(19)26)27-13-16-11-17(23)6-9-20(16)24/h2-9,11-12,26H,10,13H2,1H3
InChIKeyRJGYYCZMBPPHBW-UHFFFAOYSA-N
XLogP6.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.29
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone 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-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
CID 91871423
2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone
CID 66701045
1-(2-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 107988680
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91871425
1-(2-hydroxy-4-methoxyphenyl)-2-(6-methylnaphthalen-2-yl)ethanone
CID 86168500
2-chloro-5-[(4-methylphenoxy)methyl]benzoic acid
CID 117221957
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973882

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone (CID 91871409) is 1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2ccc(OCc3cc(Cl)ccc3Cl)cc2O)cc1.
What is the InChIKey of 1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone?
The InChIKey is RJGYYCZMBPPHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2O3/c1-14-2-4-15(5-3-14)10-21(25)19-8-7-18(12-22(19)26)27-13-16-11-17(23)6-9-20(16)24/h2-9,11-12,26H,10,13H2,1H3.
What are the key properties of 1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone?
1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone has a molecular weight of 401.29 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 91871409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).