3-methoxy-5-(4-phenylphenyl)pentanoic acid

C18H20O3 — CID 45482998

IUPAC3-methoxy-5-(4-phenylphenyl)pentanoic acid
SMILESCOC(CCc1ccc(-c2ccccc2)cc1)CC(=O)O
InChIInChI=1S/C18H20O3/c1-21-17(13-18(19)20)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-8,10-11,17H,9,12-13H2,1H3,(H,19,20)
InChIKeyKYPWLTXIHUQMGA-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.78
Rot. Bonds7

About 3-methoxy-5-(4-phenylphenyl)pentanoic acid

3-methoxy-5-(4-phenylphenyl)pentanoic acid (PubChem CID 45482998) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-methoxy-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name3-methoxy-5-(4-phenylphenyl)pentanoic acid
PubChem CID45482998
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name3-methoxy-5-(4-phenylphenyl)pentanoic acid
SMILESCOC(CCc1ccc(-c2ccccc2)cc1)CC(=O)O
InChIInChI=1S/C18H20O3/c1-21-17(13-18(19)20)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-8,10-11,17H,9,12-13H2,1H3,(H,19,20)
InChIKeyKYPWLTXIHUQMGA-UHFFFAOYSA-N
XLogP3.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of 3-methoxy-5-(4-phenylphenyl)pentanoic acid (CID 45482998) is 3-methoxy-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for 3-methoxy-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for 3-methoxy-5-(4-phenylphenyl)pentanoic acid is COC(CCc1ccc(-c2ccccc2)cc1)CC(=O)O.
What is the InChIKey of 3-methoxy-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is KYPWLTXIHUQMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-21-17(13-18(19)20)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-8,10-11,17H,9,12-13H2,1H3,(H,19,20).
What are the key properties of 3-methoxy-5-(4-phenylphenyl)pentanoic acid?
3-methoxy-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 284.36 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 45482998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).