3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid

C18H20O3 — CID 2939109

IUPAC3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCC(C)Oc1ccc(C(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-13(2)21-16-10-8-15(9-11-16)17(12-18(19)20)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,19,20)
InChIKeySGFRWTDTDDTGGN-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.08
Rot. Bonds6

About 3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid

3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid (PubChem CID 2939109) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
PubChem CID2939109
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCC(C)Oc1ccc(C(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-13(2)21-16-10-8-15(9-11-16)17(12-18(19)20)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,19,20)
InChIKeySGFRWTDTDDTGGN-UHFFFAOYSA-N
XLogP4.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-phenylbutanoylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 4042816
(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 40514082
6-methyl-3-(4-propan-2-yloxyphenyl)heptanoic acid
CID 3360093
(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 7332926
(3R)-3-[[(3S)-3-phenylbutanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 7044840
3-amino-4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoic acid
CID 116957906
N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 4610480
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621
N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
3-methyl-4-oxo-5,5-diphenylpentanoic acid
CID 107292902
3-(3,4-dimethylphenyl)-3-phenylpropanoic acid
CID 166063960
3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
CID 70842776

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid (CID 2939109) is 3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid is CC(C)Oc1ccc(C(CC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is SGFRWTDTDDTGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13(2)21-16-10-8-15(9-11-16)17(12-18(19)20)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,19,20).
What are the key properties of 3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid?
3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 2939109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).