2-(6-hydroxy-4-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)oxyacetic acid

C14H22O4 — CID 69378857

IUPAC2-(6-hydroxy-4-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)oxyacetic acid
SMILESCCCC1(OCC(=O)O)C=CC(C(C)C)=CC1O
InChIInChI=1S/C14H22O4/c1-4-6-14(18-9-13(16)17)7-5-11(10(2)3)8-12(14)15/h5,7-8,10,12,15H,4,6,9H2,1-3H3,(H,16,17)
InChIKeyRJXOVFORYZYVNW-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.14
Rot. Bonds6

About 2-(6-hydroxy-4-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)oxyacetic acid

2-(6-hydroxy-4-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)oxyacetic acid (PubChem CID 69378857) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(6-hydroxy-4-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(6-hydroxy-4-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)oxyacetic acid
PubChem CID69378857
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2-(6-hydroxy-4-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)oxyacetic acid
SMILESCCCC1(OCC(=O)O)C=CC(C(C)C)=CC1O
InChIInChI=1S/C14H22O4/c1-4-6-14(18-9-13(16)17)7-5-11(10(2)3)8-12(14)15/h5,7-8,10,12,15H,4,6,9H2,1-3H3,(H,16,17)
InChIKeyRJXOVFORYZYVNW-UHFFFAOYSA-N
XLogP2.14
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-4-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)oxyacetic acid?
The IUPAC name of 2-(6-hydroxy-4-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)oxyacetic acid (CID 69378857) is 2-(6-hydroxy-4-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)oxyacetic acid.
What is the SMILES notation for 2-(6-hydroxy-4-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)oxyacetic acid?
The canonical SMILES for 2-(6-hydroxy-4-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)oxyacetic acid is CCCC1(OCC(=O)O)C=CC(C(C)C)=CC1O.
What is the InChIKey of 2-(6-hydroxy-4-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)oxyacetic acid?
The InChIKey is RJXOVFORYZYVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-4-6-14(18-9-13(16)17)7-5-11(10(2)3)8-12(14)15/h5,7-8,10,12,15H,4,6,9H2,1-3H3,(H,16,17).
What are the key properties of 2-(6-hydroxy-4-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)oxyacetic acid?
2-(6-hydroxy-4-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)oxyacetic acid has a molecular weight of 254.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-4-propan-2-yl-1-propylcyclohexa-2,4-dien-1-yl)oxyacetic acid is sourced from PubChem (CID 69378857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).