2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid

C15H20O4 — CID 103377760

IUPAC2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid
SMILESCC(O)C(C)OC(C(=O)O)c1ccccc1C1CC1
InChIInChI=1S/C15H20O4/c1-9(16)10(2)19-14(15(17)18)13-6-4-3-5-12(13)11-7-8-11/h3-6,9-11,14,16H,7-8H2,1-2H3,(H,17,18)
InChIKeyQFCIROPUGAYXBK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.48
Rot. Bonds6

About 2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid

2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid (PubChem CID 103377760) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid
PubChem CID103377760
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid
SMILESCC(O)C(C)OC(C(=O)O)c1ccccc1C1CC1
InChIInChI=1S/C15H20O4/c1-9(16)10(2)19-14(15(17)18)13-6-4-3-5-12(13)11-7-8-11/h3-6,9-11,14,16H,7-8H2,1-2H3,(H,17,18)
InChIKeyQFCIROPUGAYXBK-UHFFFAOYSA-N
XLogP2.48
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid?
The IUPAC name of 2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid (CID 103377760) is 2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid?
The canonical SMILES for 2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid is CC(O)C(C)OC(C(=O)O)c1ccccc1C1CC1.
What is the InChIKey of 2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid?
The InChIKey is QFCIROPUGAYXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9(16)10(2)19-14(15(17)18)13-6-4-3-5-12(13)11-7-8-11/h3-6,9-11,14,16H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid?
2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid has a molecular weight of 264.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid is sourced from PubChem (CID 103377760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).