2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid

C12H14O4 — CID 117108511

IUPAC2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid
SMILESO=C(O)C(O)c1cccc(CC2(O)CC2)c1
InChIInChI=1S/C12H14O4/c13-10(11(14)15)9-3-1-2-8(6-9)7-12(16)4-5-12/h1-3,6,10,13,16H,4-5,7H2,(H,14,15)
InChIKeyCQOVQEVQPYOLND-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.87
Rot. Bonds4

About 2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid

2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid (PubChem CID 117108511) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid
PubChem CID117108511
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid
SMILESO=C(O)C(O)c1cccc(CC2(O)CC2)c1
InChIInChI=1S/C12H14O4/c13-10(11(14)15)9-3-1-2-8(6-9)7-12(16)4-5-12/h1-3,6,10,13,16H,4-5,7H2,(H,14,15)
InChIKeyCQOVQEVQPYOLND-UHFFFAOYSA-N
XLogP0.87
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid (CID 117108511) is 2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid is O=C(O)C(O)c1cccc(CC2(O)CC2)c1.
What is the InChIKey of 2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid?
The InChIKey is CQOVQEVQPYOLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c13-10(11(14)15)9-3-1-2-8(6-9)7-12(16)4-5-12/h1-3,6,10,13,16H,4-5,7H2,(H,14,15).
What are the key properties of 2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid?
2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid has a molecular weight of 222.24 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid is sourced from PubChem (CID 117108511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).