1-cyclohexa-2,4-dien-1-ylethanol

C8H12O — CID 67967867

IUPAC1-cyclohexa-2,4-dien-1-ylethanol
SMILESCC(O)C1C=CC=CC1
InChIInChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h2-5,7-9H,6H2,1H3
InChIKeyGOGHYNNGBSYHIP-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.50
Rot. Bonds1

About 1-cyclohexa-2,4-dien-1-ylethanol

1-cyclohexa-2,4-dien-1-ylethanol (PubChem CID 67967867) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-ylethanol.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-ylethanol
PubChem CID67967867
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-cyclohexa-2,4-dien-1-ylethanol
SMILESCC(O)C1C=CC=CC1
InChIInChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h2-5,7-9H,6H2,1H3
InChIKeyGOGHYNNGBSYHIP-UHFFFAOYSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-ylethanol?
The IUPAC name of 1-cyclohexa-2,4-dien-1-ylethanol (CID 67967867) is 1-cyclohexa-2,4-dien-1-ylethanol.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-ylethanol?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-ylethanol is CC(O)C1C=CC=CC1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-ylethanol?
The InChIKey is GOGHYNNGBSYHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h2-5,7-9H,6H2,1H3.
What are the key properties of 1-cyclohexa-2,4-dien-1-ylethanol?
1-cyclohexa-2,4-dien-1-ylethanol has a molecular weight of 124.18 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-ylethanol is sourced from PubChem (CID 67967867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).