acetic acid;(2,3,4,5,6-pentamethylphenyl)methanol

C14H22O3 — CID 71352881

IUPACacetic acid;(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCC(=O)O.Cc1c(C)c(C)c(CO)c(C)c1C
InChIInChI=1S/C12H18O.C2H4O2/c1-7-8(2)10(4)12(6-13)11(5)9(7)3;1-2(3)4/h13H,6H2,1-5H3;1H3,(H,3,4)
InChIKeyCTMTVCAIEWGNDC-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.81
Rot. Bonds1

About acetic acid;(2,3,4,5,6-pentamethylphenyl)methanol

acetic acid;(2,3,4,5,6-pentamethylphenyl)methanol (PubChem CID 71352881) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is acetic acid;(2,3,4,5,6-pentamethylphenyl)methanol.

Molecular Properties

Compound Nameacetic acid;(2,3,4,5,6-pentamethylphenyl)methanol
PubChem CID71352881
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nameacetic acid;(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCC(=O)O.Cc1c(C)c(C)c(CO)c(C)c1C
InChIInChI=1S/C12H18O.C2H4O2/c1-7-8(2)10(4)12(6-13)11(5)9(7)3;1-2(3)4/h13H,6H2,1-5H3;1H3,(H,3,4)
InChIKeyCTMTVCAIEWGNDC-UHFFFAOYSA-N
XLogP2.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;(2,3,4,5,6-pentamethylphenyl)methanol?
The IUPAC name of acetic acid;(2,3,4,5,6-pentamethylphenyl)methanol (CID 71352881) is acetic acid;(2,3,4,5,6-pentamethylphenyl)methanol.
What is the SMILES notation for acetic acid;(2,3,4,5,6-pentamethylphenyl)methanol?
The canonical SMILES for acetic acid;(2,3,4,5,6-pentamethylphenyl)methanol is CC(=O)O.Cc1c(C)c(C)c(CO)c(C)c1C.
What is the InChIKey of acetic acid;(2,3,4,5,6-pentamethylphenyl)methanol?
The InChIKey is CTMTVCAIEWGNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C2H4O2/c1-7-8(2)10(4)12(6-13)11(5)9(7)3;1-2(3)4/h13H,6H2,1-5H3;1H3,(H,3,4).
What are the key properties of acetic acid;(2,3,4,5,6-pentamethylphenyl)methanol?
acetic acid;(2,3,4,5,6-pentamethylphenyl)methanol has a molecular weight of 238.33 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2,3,4,5,6-pentamethylphenyl)methanol is sourced from PubChem (CID 71352881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).