2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid

C20H20Cl2O4 — CID 23648121

IUPAC2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(C3CCCCC3)c2)c(Cl)c1
InChIInChI=1S/C20H20Cl2O4/c21-16-8-12(10-19(24)25)9-17(22)20(16)26-14-6-7-18(23)15(11-14)13-4-2-1-3-5-13/h6-9,11,13,23H,1-5,10H2,(H,24,25)
InChIKeyUTTJYFMWZBKOLA-UHFFFAOYSA-N
MW395.28 g/mol
LogP6.17
Rot. Bonds5

About 2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid

2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid (PubChem CID 23648121) has the molecular formula C20H20Cl2O4 and a molecular weight of 395.28 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid
PubChem CID23648121
Molecular FormulaC20H20Cl2O4
Molecular Weight395.28 g/mol
Exact Mass394.07
IUPAC Name2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(C3CCCCC3)c2)c(Cl)c1
InChIInChI=1S/C20H20Cl2O4/c21-16-8-12(10-19(24)25)9-17(22)20(16)26-14-6-7-18(23)15(11-14)13-4-2-1-3-5-13/h6-9,11,13,23H,1-5,10H2,(H,24,25)
InChIKeyUTTJYFMWZBKOLA-UHFFFAOYSA-N
XLogP6.17
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.28
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

KB-141
CID 9863447
3-{3,5-Dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}propanoic acid
CID 10904700
2-{3,5-Dichloro-4-[3-(3-ethylphenyl)-4-hydroxyphenoxy]phenyl}acetic acid
CID 23648101
2-(3,5-Dichloro-4-{4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenoxy}phenyl)acetic acid
CID 23648107
2-(3,5-Dichloro-4-{3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenoxy}phenyl)acetic acid
CID 23648112
3,5-Dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]benzoic acid
CID 9862799
3,5-Dichloro-4-(4-methoxy-3-isopropylphenoxy)benzylalcohol
CID 11131640
2-[3,5-Dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]acetic acid
CID 23648105
2-(3,5-Dichloro-4-{4-hydroxy-3-[2-(trifluoromethyl)phenyl]phenoxy}phenyl)acetic acid
CID 23648106
2-(3,5-Dichloro-4-{4-hydroxy-3-[4-(trifluoromethyl)phenyl]phenoxy}phenyl)acetic acid
CID 23648108
2-(3,5-Dichloro-4-{4-hydroxy-3-[3-(propan-2-yl)phenyl]phenoxy}phenyl)acetic acid
CID 23648109
2-{3,5-Dichloro-4-[4-hydroxy-3-(3-phenylphenyl)phenoxy]phenyl}acetic acid
CID 23648110

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid?
The IUPAC name of 2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid (CID 23648121) is 2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid is O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(C3CCCCC3)c2)c(Cl)c1.
What is the InChIKey of 2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid?
The InChIKey is UTTJYFMWZBKOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2O4/c21-16-8-12(10-19(24)25)9-17(22)20(16)26-14-6-7-18(23)15(11-14)13-4-2-1-3-5-13/h6-9,11,13,23H,1-5,10H2,(H,24,25).
What are the key properties of 2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid?
2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid has a molecular weight of 395.28 g/mol, XLogP of 6.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-(3-cyclohexyl-4-hydroxyphenoxy)phenyl]acetic acid is sourced from PubChem (CID 23648121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).