2-(3-phenoxyphenyl)butanoic acid

C16H16O3 — CID 69314878

IUPAC2-(3-phenoxyphenyl)butanoic acid
SMILESCCC(C(=O)O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H16O3/c1-2-15(16(17)18)12-7-6-10-14(11-12)19-13-8-4-3-5-9-13/h3-11,15H,2H2,1H3,(H,17,18)
InChIKeyTWANPIDAKIHJDU-UHFFFAOYSA-N
MW256.30 g/mol
LogP4.06
Rot. Bonds5

About 2-(3-phenoxyphenyl)butanoic acid

2-(3-phenoxyphenyl)butanoic acid (PubChem CID 69314878) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(3-phenoxyphenyl)butanoic acid.

Molecular Properties

Compound Name2-(3-phenoxyphenyl)butanoic acid
PubChem CID69314878
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-(3-phenoxyphenyl)butanoic acid
SMILESCCC(C(=O)O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H16O3/c1-2-15(16(17)18)12-7-6-10-14(11-12)19-13-8-4-3-5-9-13/h3-11,15H,2H2,1H3,(H,17,18)
InChIKeyTWANPIDAKIHJDU-UHFFFAOYSA-N
XLogP4.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-propoxyphenyl)butanoic acid
CID 54432962
bis[2-(3-phenoxyphenyl)pentanoyloxy]alumanylium
CID 21416898
2-(3-sulfanylphenyl)butanoic acid
CID 22341621
2-(3-(125I)iodophenyl)butanoic acid
CID 13147476
2-naphthalen-2-ylbutanoic acid
CID 27266
3,3,3-trideuterio-2-(3-phenoxyphenyl)(313C)propanoic acid
CID 76974283
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
2-(3-phenoxyphenyl)heptanoyloxy 2-(3-phenoxyphenyl)heptaneperoxoate
CID 88828312
2-(3-propylphenyl)butanoic acid
CID 116545486
1-(3-phenoxyphenyl)ethanol
CID 12882419
4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol
CID 143290824
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxyphenyl)butanoic acid?
The IUPAC name of 2-(3-phenoxyphenyl)butanoic acid (CID 69314878) is 2-(3-phenoxyphenyl)butanoic acid.
What is the SMILES notation for 2-(3-phenoxyphenyl)butanoic acid?
The canonical SMILES for 2-(3-phenoxyphenyl)butanoic acid is CCC(C(=O)O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-(3-phenoxyphenyl)butanoic acid?
The InChIKey is TWANPIDAKIHJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-15(16(17)18)12-7-6-10-14(11-12)19-13-8-4-3-5-9-13/h3-11,15H,2H2,1H3,(H,17,18).
What are the key properties of 2-(3-phenoxyphenyl)butanoic acid?
2-(3-phenoxyphenyl)butanoic acid has a molecular weight of 256.30 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxyphenyl)butanoic acid is sourced from PubChem (CID 69314878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).