acetic acid;cyclohexa-2,4-dien-1-ol

C8H12O3 — CID 139242866

IUPACacetic acid;cyclohexa-2,4-dien-1-ol
SMILESCC(=O)O.OC1C=CC=CC1
InChIInChI=1S/C6H8O.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h1-4,6-7H,5H2;1H3,(H,3,4)
InChIKeyXJFQJBCVEFRHDC-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.95
Rot. Bonds

About acetic acid;cyclohexa-2,4-dien-1-ol

acetic acid;cyclohexa-2,4-dien-1-ol (PubChem CID 139242866) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is acetic acid;cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Nameacetic acid;cyclohexa-2,4-dien-1-ol
PubChem CID139242866
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameacetic acid;cyclohexa-2,4-dien-1-ol
SMILESCC(=O)O.OC1C=CC=CC1
InChIInChI=1S/C6H8O.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h1-4,6-7H,5H2;1H3,(H,3,4)
InChIKeyXJFQJBCVEFRHDC-UHFFFAOYSA-N
XLogP0.95
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143361819
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CID 71388336
1-[(1R)-2-cyclohexa-2,4-dien-1-ylcyclopropyl]ethanone
CID 142935097
ethyl (1R)-cyclohexa-2,4-diene-1-carboxylate
CID 142951121
(Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione
CID 11001591
3-cyclohexa-2,4-dien-1-yl-2-methyl-1-phenylbut-2-en-1-one
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acetic acid;carbonic acid
CID 157418112

Frequently Asked Questions

What is the IUPAC name of acetic acid;cyclohexa-2,4-dien-1-ol?
The IUPAC name of acetic acid;cyclohexa-2,4-dien-1-ol (CID 139242866) is acetic acid;cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for acetic acid;cyclohexa-2,4-dien-1-ol?
The canonical SMILES for acetic acid;cyclohexa-2,4-dien-1-ol is CC(=O)O.OC1C=CC=CC1.
What is the InChIKey of acetic acid;cyclohexa-2,4-dien-1-ol?
The InChIKey is XJFQJBCVEFRHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h1-4,6-7H,5H2;1H3,(H,3,4).
What are the key properties of acetic acid;cyclohexa-2,4-dien-1-ol?
acetic acid;cyclohexa-2,4-dien-1-ol has a molecular weight of 156.18 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 139242866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).