ethane;(2,4,6-trimethylphenyl)methanol

C12H20O — CID 143599991

IUPACethane;(2,4,6-trimethylphenyl)methanol
SMILESCC.Cc1cc(C)c(CO)c(C)c1
InChIInChI=1S/C10H14O.C2H6/c1-7-4-8(2)10(6-11)9(3)5-7;1-2/h4-5,11H,6H2,1-3H3;1-2H3
InChIKeyGGJZXYPFIFEFLU-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.13
Rot. Bonds1

About ethane;(2,4,6-trimethylphenyl)methanol

ethane;(2,4,6-trimethylphenyl)methanol (PubChem CID 143599991) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;(2,4,6-trimethylphenyl)methanol.

Molecular Properties

Compound Nameethane;(2,4,6-trimethylphenyl)methanol
PubChem CID143599991
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Nameethane;(2,4,6-trimethylphenyl)methanol
SMILESCC.Cc1cc(C)c(CO)c(C)c1
InChIInChI=1S/C10H14O.C2H6/c1-7-4-8(2)10(6-11)9(3)5-7;1-2/h4-5,11H,6H2,1-3H3;1-2H3
InChIKeyGGJZXYPFIFEFLU-UHFFFAOYSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2,6-dimethyl-4-(nitrosomethyl)phenyl]methanol
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2,4-bis(hydroxymethyl)-3,5-dimethylphenol
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2-(chloromethyl)-1,3,5-trimethylbenzene;methane
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2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
(2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol
CID 82269123
hydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium
CID 175828845
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene
CID 170736558
2-butyl-1,3,5-trimethylbenzene
CID 527298
2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-ol
CID 115659543
[4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol
CID 54452968

Frequently Asked Questions

What is the IUPAC name of ethane;(2,4,6-trimethylphenyl)methanol?
The IUPAC name of ethane;(2,4,6-trimethylphenyl)methanol (CID 143599991) is ethane;(2,4,6-trimethylphenyl)methanol.
What is the SMILES notation for ethane;(2,4,6-trimethylphenyl)methanol?
The canonical SMILES for ethane;(2,4,6-trimethylphenyl)methanol is CC.Cc1cc(C)c(CO)c(C)c1.
What is the InChIKey of ethane;(2,4,6-trimethylphenyl)methanol?
The InChIKey is GGJZXYPFIFEFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C2H6/c1-7-4-8(2)10(6-11)9(3)5-7;1-2/h4-5,11H,6H2,1-3H3;1-2H3.
What are the key properties of ethane;(2,4,6-trimethylphenyl)methanol?
ethane;(2,4,6-trimethylphenyl)methanol has a molecular weight of 180.29 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2,4,6-trimethylphenyl)methanol is sourced from PubChem (CID 143599991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).