4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid

C25H26O4 — CID 142080279

IUPAC4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid
SMILESCC(C)(Oc1ccccc1)c1ccc(OC(C)(C)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C25H26O4/c1-24(2,19-12-10-18(11-13-19)23(26)27)29-22-16-14-20(15-17-22)25(3,4)28-21-8-6-5-7-9-21/h5-17H,1-4H3,(H,26,27)
InChIKeyBTDJTXYTZKAXED-UHFFFAOYSA-N
MW390.48 g/mol
LogP6.01
Rot. Bonds7

About 4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid

4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid (PubChem CID 142080279) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid
PubChem CID142080279
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid
SMILESCC(C)(Oc1ccccc1)c1ccc(OC(C)(C)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C25H26O4/c1-24(2,19-12-10-18(11-13-19)23(26)27)29-22-16-14-20(15-17-22)25(3,4)28-21-8-6-5-7-9-21/h5-17H,1-4H3,(H,26,27)
InChIKeyBTDJTXYTZKAXED-UHFFFAOYSA-N
XLogP6.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 143546093
4-(2-bromopropan-2-yloxy)benzoic acid
CID 174654971
4-(2-methoxypropan-2-yl)benzoic acid
CID 18174432
4-phenoxybenzoic acid;hydrochloride
CID 70385625
[4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone
CID 145003401
4-tert-butyl-N'-(4-phenoxybenzoyl)benzohydrazide
CID 7980024
4-(1,1-dimethoxyethoxy)benzoic acid
CID 174603302
4-[2-(trioxidanyl)propan-2-yl]benzoic acid
CID 88596383
1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene
CID 143658209
1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
CID 22421309
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid?
The IUPAC name of 4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid (CID 142080279) is 4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid.
What is the SMILES notation for 4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid?
The canonical SMILES for 4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid is CC(C)(Oc1ccccc1)c1ccc(OC(C)(C)c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid?
The InChIKey is BTDJTXYTZKAXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-24(2,19-12-10-18(11-13-19)23(26)27)29-22-16-14-20(15-17-22)25(3,4)28-21-8-6-5-7-9-21/h5-17H,1-4H3,(H,26,27).
What are the key properties of 4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid?
4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid has a molecular weight of 390.48 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid is sourced from PubChem (CID 142080279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).