2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol

C10H16O2 — CID 101087121

IUPAC2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol
SMILESOCCC1C=CC(CCO)C=C1
InChIInChI=1S/C10H16O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4,9-12H,5-8H2
InChIKeyIAEMSBQNHATNDX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.11
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol

2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol (PubChem CID 101087121) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol
PubChem CID101087121
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol
SMILESOCCC1C=CC(CCO)C=C1
InChIInChI=1S/C10H16O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4,9-12H,5-8H2
InChIKeyIAEMSBQNHATNDX-UHFFFAOYSA-N
XLogP1.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.11
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)cyclohexa-2,5-dien-1-yl]ethanol?
The IUPAC name of 2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol (CID 101087121) is 2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol is OCCC1C=CC(CCO)C=C1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol?
The InChIKey is IAEMSBQNHATNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4,9-12H,5-8H2.
What are the key properties of 2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol?
2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol has a molecular weight of 168.24 g/mol, XLogP of 1.11, 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)cyclohexa-2,5-dien-1-yl]ethanol is sourced from PubChem (CID 101087121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).