3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid

C22H20O3 — CID 11659982

IUPAC3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(Cc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O3/c23-22(24)15-12-17-6-8-18(9-7-17)16-19-10-13-21(14-11-19)25-20-4-2-1-3-5-20/h1-11,13-14H,12,15-16H2,(H,23,24)
InChIKeyQDSYRDVXVBTYSN-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.09
Rot. Bonds7

About 3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid

3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid (PubChem CID 11659982) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid
PubChem CID11659982
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(Cc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O3/c23-22(24)15-12-17-6-8-18(9-7-17)16-19-10-13-21(14-11-19)25-20-4-2-1-3-5-20/h1-11,13-14H,12,15-16H2,(H,23,24)
InChIKeyQDSYRDVXVBTYSN-UHFFFAOYSA-N
XLogP5.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87907656
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
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3-[4-(4-cyanophenoxy)phenyl]propanoic acid
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3-[4-(4-nitrophenoxy)phenyl]propanoic acid
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(NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine
CID 21296282
oxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid
CID 143975054
1,7-bis(4-phenoxyphenyl)heptan-1-one
CID 130400108
3-[3-[[methylsulfonyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]propanoic acid
CID 18376114
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid (CID 11659982) is 3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid is O=C(O)CCc1ccc(Cc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid?
The InChIKey is QDSYRDVXVBTYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c23-22(24)15-12-17-6-8-18(9-7-17)16-19-10-13-21(14-11-19)25-20-4-2-1-3-5-20/h1-11,13-14H,12,15-16H2,(H,23,24).
What are the key properties of 3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid?
3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid has a molecular weight of 332.40 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid is sourced from PubChem (CID 11659982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).