1-cyclohexa-1,3-dien-1-yloxyethenol

C8H10O2 — CID 89307417

IUPAC1-cyclohexa-1,3-dien-1-yloxyethenol
SMILESC=C(O)OC1=CC=CCC1
InChIInChI=1S/C8H10O2/c1-7(9)10-8-5-3-2-4-6-8/h2-3,5,9H,1,4,6H2
InChIKeyCXUXOPWPPDIQRR-UHFFFAOYSA-N
MW138.17 g/mol
LogP2.27
Rot. Bonds2

About 1-cyclohexa-1,3-dien-1-yloxyethenol

1-cyclohexa-1,3-dien-1-yloxyethenol (PubChem CID 89307417) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yloxyethenol.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yloxyethenol
PubChem CID89307417
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-cyclohexa-1,3-dien-1-yloxyethenol
SMILESC=C(O)OC1=CC=CCC1
InChIInChI=1S/C8H10O2/c1-7(9)10-8-5-3-2-4-6-8/h2-3,5,9H,1,4,6H2
InChIKeyCXUXOPWPPDIQRR-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(Methoxymethoxy)cyclohexa-1,3-diene
CID 12777330
Cyclohexa-1,3-dien-1-yl hydrogen carbonate
CID 69722942
Methanol;1-methoxycyclohexa-1,3-diene
CID 144365656
6-Methyl-4-methylidene-3-prop-1-en-2-ylpyran-2-ol
CID 144490298
Cyclohexa-1,3-dien-1-yloxymethanediol
CID 161343232
Cyclohexa-1,3-dien-1-yloxymethanetriol
CID 163632637
(4-Methoxycyclohexa-1,3-dien-1-yl)oxymethanol
CID 163877980
CID 174022154
CID 174022154

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yloxyethenol?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yloxyethenol (CID 89307417) is 1-cyclohexa-1,3-dien-1-yloxyethenol.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yloxyethenol?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yloxyethenol is C=C(O)OC1=CC=CCC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yloxyethenol?
The InChIKey is CXUXOPWPPDIQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-7(9)10-8-5-3-2-4-6-8/h2-3,5,9H,1,4,6H2.
What are the key properties of 1-cyclohexa-1,3-dien-1-yloxyethenol?
1-cyclohexa-1,3-dien-1-yloxyethenol has a molecular weight of 138.17 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yloxyethenol is sourced from PubChem (CID 89307417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).