2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid

C29H25FO6 — CID 70618231

IUPAC2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid
SMILESCC(COc1ccc(C(Oc2ccc(Oc3ccccc3)cc2)C(=O)O)cc1)Oc1ccc(F)cc1
InChIInChI=1S/C29H25FO6/c1-20(34-25-13-9-22(30)10-14-25)19-33-23-11-7-21(8-12-23)28(29(31)32)36-27-17-15-26(16-18-27)35-24-5-3-2-4-6-24/h2-18,20,28H,19H2,1H3,(H,31,32)
InChIKeyQZNBSSMDPWRJBZ-UHFFFAOYSA-N
MW488.51 g/mol
LogP6.67
Rot. Bonds11

About 2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid

2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid (PubChem CID 70618231) has the molecular formula C29H25FO6 and a molecular weight of 488.51 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid
PubChem CID70618231
Molecular FormulaC29H25FO6
Molecular Weight488.51 g/mol
Exact Mass488.16
IUPAC Name2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid
SMILESCC(COc1ccc(C(Oc2ccc(Oc3ccccc3)cc2)C(=O)O)cc1)Oc1ccc(F)cc1
InChIInChI=1S/C29H25FO6/c1-20(34-25-13-9-22(30)10-14-25)19-33-23-11-7-21(8-12-23)28(29(31)32)36-27-17-15-26(16-18-27)35-24-5-3-2-4-6-24/h2-18,20,28H,19H2,1H3,(H,31,32)
InChIKeyQZNBSSMDPWRJBZ-UHFFFAOYSA-N
XLogP6.67
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.51
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylphenoxy)-2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]acetic acid
CID 70618224
2-(4-chlorophenoxy)-2-[4-[2-(4-chlorophenoxy)propoxy]phenyl]acetic acid
CID 22761125
2-[3-(trifluoromethyl)phenoxy]-2-[4-[2-[4-(trifluoromethyl)phenoxy]propoxy]phenyl]acetic acid
CID 22761075
(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
CID 42252726
(2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)propoxy]phenyl]propanoic acid
CID 69422745
methyl 2-bromo-2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]acetate
CID 54386710
4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
CID 22247669
2-(4-bromophenyl)-2-(4-fluorophenoxy)acetic acid
CID 67078978
2-(4-fluorophenoxy)propanoic acid
CID 3872140
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281
(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
CID 129384207
1-phenoxypropan-2-yl 2-phenoxypropyl hydrogen phosphate
CID 21023123

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid?
The IUPAC name of 2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid (CID 70618231) is 2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid.
What is the SMILES notation for 2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid?
The canonical SMILES for 2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid is CC(COc1ccc(C(Oc2ccc(Oc3ccccc3)cc2)C(=O)O)cc1)Oc1ccc(F)cc1.
What is the InChIKey of 2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid?
The InChIKey is QZNBSSMDPWRJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FO6/c1-20(34-25-13-9-22(30)10-14-25)19-33-23-11-7-21(8-12-23)28(29(31)32)36-27-17-15-26(16-18-27)35-24-5-3-2-4-6-24/h2-18,20,28H,19H2,1H3,(H,31,32).
What are the key properties of 2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid?
2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid has a molecular weight of 488.51 g/mol, XLogP of 6.67, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenoxy)propoxy]phenyl]-2-(4-phenoxyphenoxy)acetic acid is sourced from PubChem (CID 70618231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).