5-(2-hydroxyethyl)cyclohexa-2,4-dien-1-ol

C8H12O2 — CID 126635433

IUPAC5-(2-hydroxyethyl)cyclohexa-2,4-dien-1-ol
SMILESOCCC1=CC=CC(O)C1
InChIInChI=1S/C8H12O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,8-10H,4-6H2
InChIKeyIWGDMUCNAPXUGU-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.62
Rot. Bonds2

About 5-(2-hydroxyethyl)cyclohexa-2,4-dien-1-ol

5-(2-hydroxyethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 126635433) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-(2-hydroxyethyl)cyclohexa-2,4-dien-1-ol
PubChem CID126635433
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-(2-hydroxyethyl)cyclohexa-2,4-dien-1-ol
SMILESOCCC1=CC=CC(O)C1
InChIInChI=1S/C8H12O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,8-10H,4-6H2
InChIKeyIWGDMUCNAPXUGU-UHFFFAOYSA-N
XLogP0.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-(2-hydroxyethyl)cyclohexa-2,4-dien-1-ol (CID 126635433) is 5-(2-hydroxyethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-(2-hydroxyethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-(2-hydroxyethyl)cyclohexa-2,4-dien-1-ol is OCCC1=CC=CC(O)C1.
What is the InChIKey of 5-(2-hydroxyethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is IWGDMUCNAPXUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,8-10H,4-6H2.
What are the key properties of 5-(2-hydroxyethyl)cyclohexa-2,4-dien-1-ol?
5-(2-hydroxyethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 140.18 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 126635433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).