2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid

C16H17NO3 — CID 139894117

IUPAC2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid
SMILESCC(C)Oc1cc(CC(=O)O)ccc1-c1ccccn1
InChIInChI=1S/C16H17NO3/c1-11(2)20-15-9-12(10-16(18)19)6-7-13(15)14-5-3-4-8-17-14/h3-9,11H,10H2,1-2H3,(H,18,19)
InChIKeyCIYBKGQAWWRNHS-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.16
Rot. Bonds5

About 2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid

2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid (PubChem CID 139894117) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid
PubChem CID139894117
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid
SMILESCC(C)Oc1cc(CC(=O)O)ccc1-c1ccccn1
InChIInChI=1S/C16H17NO3/c1-11(2)20-15-9-12(10-16(18)19)6-7-13(15)14-5-3-4-8-17-14/h3-9,11H,10H2,1-2H3,(H,18,19)
InChIKeyCIYBKGQAWWRNHS-UHFFFAOYSA-N
XLogP3.16
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxy-4-pyridin-2-ylphenyl)methanol
CID 71195386
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013
2-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]acetic acid
CID 170886833
(4-propan-2-yloxy-2-pyridin-2-ylphenyl)methanamine
CID 174880823
3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid
CID 82050366
2-[3-propan-2-yloxy-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetic acid
CID 91312741
3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
CID 121355469
2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid
CID 155675288
(5-formyl-2-pyridin-2-ylphenyl) acetate
CID 132544858
2-[4-(5-fluoro-2-phenylmethoxycarbonyloxy-3,4-dihydro-1H-isoquinolin-8-yl)-3-propan-2-yloxyphenyl]acetic acid
CID 126597292
2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83879723
2,3-dimethyl-4-pyridin-2-ylbenzoic acid
CID 175747160

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid?
The IUPAC name of 2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid (CID 139894117) is 2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid.
What is the SMILES notation for 2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid?
The canonical SMILES for 2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid is CC(C)Oc1cc(CC(=O)O)ccc1-c1ccccn1.
What is the InChIKey of 2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid?
The InChIKey is CIYBKGQAWWRNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(2)20-15-9-12(10-16(18)19)6-7-13(15)14-5-3-4-8-17-14/h3-9,11H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid?
2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid has a molecular weight of 271.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxy-4-pyridin-2-ylphenyl)acetic acid is sourced from PubChem (CID 139894117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).