2-[4-(2-hydroxyethyl)cyclohexen-1-yl]acetic acid

C10H16O3 — CID 19424771

IUPAC2-[4-(2-hydroxyethyl)cyclohexen-1-yl]acetic acid
SMILESO=C(O)CC1=CCC(CCO)CC1
InChIInChI=1S/C10H16O3/c11-6-5-8-1-3-9(4-2-8)7-10(12)13/h3,8,11H,1-2,4-7H2,(H,12,13)
InChIKeyAUZCYKHFTACZPQ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.57
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)cyclohexen-1-yl]acetic acid

2-[4-(2-hydroxyethyl)cyclohexen-1-yl]acetic acid (PubChem CID 19424771) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)cyclohexen-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)cyclohexen-1-yl]acetic acid
PubChem CID19424771
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-[4-(2-hydroxyethyl)cyclohexen-1-yl]acetic acid
SMILESO=C(O)CC1=CCC(CCO)CC1
InChIInChI=1S/C10H16O3/c11-6-5-8-1-3-9(4-2-8)7-10(12)13/h3,8,11H,1-2,4-7H2,(H,12,13)
InChIKeyAUZCYKHFTACZPQ-UHFFFAOYSA-N
XLogP1.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)cyclohexen-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-hydroxyethyl)cyclohexen-1-yl]acetic acid (CID 19424771) is 2-[4-(2-hydroxyethyl)cyclohexen-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)cyclohexen-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-hydroxyethyl)cyclohexen-1-yl]acetic acid is O=C(O)CC1=CCC(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)cyclohexen-1-yl]acetic acid?
The InChIKey is AUZCYKHFTACZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-6-5-8-1-3-9(4-2-8)7-10(12)13/h3,8,11H,1-2,4-7H2,(H,12,13).
What are the key properties of 2-[4-(2-hydroxyethyl)cyclohexen-1-yl]acetic acid?
2-[4-(2-hydroxyethyl)cyclohexen-1-yl]acetic acid has a molecular weight of 184.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)cyclohexen-1-yl]acetic acid is sourced from PubChem (CID 19424771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).