acetic acid;(2,6-dimethylphenyl)methanol

C11H16O3 — CID 71387321

IUPACacetic acid;(2,6-dimethylphenyl)methanol
SMILESCC(=O)O.Cc1cccc(C)c1CO
InChIInChI=1S/C9H12O.C2H4O2/c1-7-4-3-5-8(2)9(7)6-10;1-2(3)4/h3-5,10H,6H2,1-2H3;1H3,(H,3,4)
InChIKeyRXUXLPJKALVVBF-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.89
Rot. Bonds1

About acetic acid;(2,6-dimethylphenyl)methanol

acetic acid;(2,6-dimethylphenyl)methanol (PubChem CID 71387321) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is acetic acid;(2,6-dimethylphenyl)methanol.

Molecular Properties

Compound Nameacetic acid;(2,6-dimethylphenyl)methanol
PubChem CID71387321
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Nameacetic acid;(2,6-dimethylphenyl)methanol
SMILESCC(=O)O.Cc1cccc(C)c1CO
InChIInChI=1S/C9H12O.C2H4O2/c1-7-4-3-5-8(2)9(7)6-10;1-2(3)4/h3-5,10H,6H2,1-2H3;1H3,(H,3,4)
InChIKeyRXUXLPJKALVVBF-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

diiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol
CID 162055260
N-[2-(hydroxymethyl)-3-methylphenyl]acetamide
CID 14368464
acetic acid;2,3-bis(hydroxymethyl)-4-methylphenol
CID 70372315
2-(hydroxymethyl)-3-methylphenol
CID 10997099
(2-ethyl-6-methylphenyl)methanol
CID 52987948
2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid
CID 66966199
acetic acid;[3-(hydroxymethyl)-2-methylphenyl]methanol
CID 71387319
acetic acid;(2,3,4,5,6-pentamethylphenyl)methanol
CID 71352881
[2-(aminomethyl)-3-methylphenyl]methanol
CID 135377044
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
acetic acid;[4-(hydroxymethyl)phenyl]methanol
CID 71354218
2-(2-bromo-6-methylphenyl)acetic acid
CID 84736031

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2,6-dimethylphenyl)methanol?
The IUPAC name of acetic acid;(2,6-dimethylphenyl)methanol (CID 71387321) is acetic acid;(2,6-dimethylphenyl)methanol.
What is the SMILES notation for acetic acid;(2,6-dimethylphenyl)methanol?
The canonical SMILES for acetic acid;(2,6-dimethylphenyl)methanol is CC(=O)O.Cc1cccc(C)c1CO.
What is the InChIKey of acetic acid;(2,6-dimethylphenyl)methanol?
The InChIKey is RXUXLPJKALVVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C2H4O2/c1-7-4-3-5-8(2)9(7)6-10;1-2(3)4/h3-5,10H,6H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;(2,6-dimethylphenyl)methanol?
acetic acid;(2,6-dimethylphenyl)methanol has a molecular weight of 196.25 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2,6-dimethylphenyl)methanol is sourced from PubChem (CID 71387321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).