2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid

C24H21Cl2FO5 — CID 155686144

IUPAC2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid
SMILESCOCC(c1ccc(F)cc1)c1cc(Cc2c(Cl)cc(OCC(=O)O)cc2Cl)ccc1O
InChIInChI=1S/C24H21Cl2FO5/c1-31-12-20(15-3-5-16(27)6-4-15)18-8-14(2-7-23(18)28)9-19-21(25)10-17(11-22(19)26)32-13-24(29)30/h2-8,10-11,20,28H,9,12-13H2,1H3,(H,29,30)
InChIKeyVOQZDUGBBCWMFW-UHFFFAOYSA-N
MW479.33 g/mol
LogP5.67
Rot. Bonds9

About 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid

2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid (PubChem CID 155686144) has the molecular formula C24H21Cl2FO5 and a molecular weight of 479.33 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid
PubChem CID155686144
Molecular FormulaC24H21Cl2FO5
Molecular Weight479.33 g/mol
Exact Mass478.08
IUPAC Name2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid
SMILESCOCC(c1ccc(F)cc1)c1cc(Cc2c(Cl)cc(OCC(=O)O)cc2Cl)ccc1O
InChIInChI=1S/C24H21Cl2FO5/c1-31-12-20(15-3-5-16(27)6-4-15)18-8-14(2-7-23(18)28)9-19-21(25)10-17(11-22(19)26)32-13-24(29)30/h2-8,10-11,20,28H,9,12-13H2,1H3,(H,29,30)
InChIKeyVOQZDUGBBCWMFW-UHFFFAOYSA-N
XLogP5.67
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.33
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid 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

3-(2-(2-(2,6-Dichlorobenzyloxy)-5-methylcinnamyl)phenyl)acrylic acid
CID 44419347
Yny8RD8myn
CID 132145547
2-[4-[3-(1-Adamantyl)-4-hydroxyphenyl]-3-chlorophenoxy]acetic acid
CID 53260732
4-[2-[(2,6-Dichlorophenyl)methoxy]-5-prop-2-enylphenyl]-2-prop-2-enylphenol
CID 156010492
2-[4-[(2,6-Dichlorophenyl)methoxy]-3-prop-2-enylphenyl]-4-prop-2-enylphenol
CID 156013787
2-[4-[[3-(2-Chloro-4-methylphenyl)phenyl]methoxy]-2-fluorophenoxy]acetic acid
CID 177648485
2-[4-(3-Chloro-4-fluorophenyl)-2-cyclohexylphenoxy]acetic acid
CID 11674960
ethyl (E)-8-[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]-6-[(3,5-difluoro-4-hydroxyphenyl)methyl]oct-7-enoate
CID 57971941
(E)-3-[2-[(2,4-dichlorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 58007763
2-[2-(2-Chlorophenyl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 58333678
2-[2-(2-Chloro-4-hydroxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 58333696
(2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid
CID 58333703

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid (CID 155686144) is 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid is COCC(c1ccc(F)cc1)c1cc(Cc2c(Cl)cc(OCC(=O)O)cc2Cl)ccc1O.
What is the InChIKey of 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid?
The InChIKey is VOQZDUGBBCWMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2FO5/c1-31-12-20(15-3-5-16(27)6-4-15)18-8-14(2-7-23(18)28)9-19-21(25)10-17(11-22(19)26)32-13-24(29)30/h2-8,10-11,20,28H,9,12-13H2,1H3,(H,29,30).
What are the key properties of 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid?
2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid has a molecular weight of 479.33 g/mol, XLogP of 5.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-[[3-[1-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxyphenyl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 155686144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).