acetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol

C12H16O3 — CID 21199772

IUPACacetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol
SMILESCC(=O)O.CC(C)(C)c1cc2cc(O)c1-2
InChIInChI=1S/C10H12O.C2H4O2/c1-10(2,3)7-4-6-5-8(11)9(6)7;1-2(3)4/h4-5,11H,1-3H3;1H3,(H,3,4)
InChIKeyQASZPSXMLOSZDK-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.76
Rot. Bonds

About acetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol

acetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol (PubChem CID 21199772) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is acetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol.

Molecular Properties

Compound Nameacetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol
PubChem CID21199772
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Nameacetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol
SMILESCC(=O)O.CC(C)(C)c1cc2cc(O)c1-2
InChIInChI=1S/C10H12O.C2H4O2/c1-10(2,3)7-4-6-5-8(11)9(6)7;1-2(3)4/h4-5,11H,1-3H3;1H3,(H,3,4)
InChIKeyQASZPSXMLOSZDK-UHFFFAOYSA-N
XLogP2.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174365709
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CID 174365708
3-tert-butyl-5-methyl-2-phenylphenol;dichlorotitanium
CID 174369626
3-(2,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
CID 74015197
2-(1,3-benzodioxol-5-yl)-3,5-ditert-butylphenol
CID 10336510
3-tert-butyl-2,5,6-trihydroxybenzoic acid
CID 130287013
1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 616296
acetic acid;3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
CID 162335538
2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol
CID 100914371
acetic acid;benzene-1,3,5-triol
CID 53443381
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
ethyl 4-(3,5-ditert-butyl-4-hydroxyphenyl)benzoate
CID 11068212

Frequently Asked Questions

What is the IUPAC name of acetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol?
The IUPAC name of acetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol (CID 21199772) is acetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol.
What is the SMILES notation for acetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol?
The canonical SMILES for acetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol is CC(=O)O.CC(C)(C)c1cc2cc(O)c1-2.
What is the InChIKey of acetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol?
The InChIKey is QASZPSXMLOSZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C2H4O2/c1-10(2,3)7-4-6-5-8(11)9(6)7;1-2(3)4/h4-5,11H,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol?
acetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol has a molecular weight of 208.26 g/mol, XLogP of 2.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-tert-butylbicyclo[2.2.0]hexa-1(6),2,4-trien-2-ol is sourced from PubChem (CID 21199772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).