ethane;(5-fluoro-2,4-dimethylphenyl)methanol

C13H23FO — CID 154686554

IUPACethane;(5-fluoro-2,4-dimethylphenyl)methanol
SMILESCC.CC.Cc1cc(C)c(CO)cc1F
InChIInChI=1S/C9H11FO.2C2H6/c1-6-3-7(2)9(10)4-8(6)5-11;2*1-2/h3-4,11H,5H2,1-2H3;2*1-2H3
InChIKeyGGJGYULSGZAHIL-UHFFFAOYSA-N
MW214.32 g/mol
LogP3.99
Rot. Bonds1

About ethane;(5-fluoro-2,4-dimethylphenyl)methanol

ethane;(5-fluoro-2,4-dimethylphenyl)methanol (PubChem CID 154686554) has the molecular formula C13H23FO and a molecular weight of 214.32 g/mol. Its IUPAC name is ethane;(5-fluoro-2,4-dimethylphenyl)methanol.

Molecular Properties

Compound Nameethane;(5-fluoro-2,4-dimethylphenyl)methanol
PubChem CID154686554
Molecular FormulaC13H23FO
Molecular Weight214.32 g/mol
Exact Mass214.17
IUPAC Nameethane;(5-fluoro-2,4-dimethylphenyl)methanol
SMILESCC.CC.Cc1cc(C)c(CO)cc1F
InChIInChI=1S/C9H11FO.2C2H6/c1-6-3-7(2)9(10)4-8(6)5-11;2*1-2/h3-4,11H,5H2,1-2H3;2*1-2H3
InChIKeyGGJGYULSGZAHIL-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4,5-difluoro-2-methylphenyl)methanol;ethane
CID 154686336
(5-ethyl-4-fluoro-2-methylphenyl)methanol
CID 117276635
(5-bromo-2,4-dimethylphenyl)methanol;ethane
CID 176929029
1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene
CID 160613848
(2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 158726026
3-(2,5-difluoro-4-methylphenyl)propan-1-ol
CID 117280446
3-(5-fluoro-2,4-dimethylphenyl)-2-methylpropanoic acid
CID 84781211
[2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol
CID 131151166
2-amino-3-(5-fluoro-2,4-dimethylphenyl)propanoic acid
CID 84781647
5-(hydroxymethyl)-2,4-dimethylbenzoic acid
CID 89037743
N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine
CID 84765584
(5-ethyl-2,3-difluorophenyl)methanol
CID 117276930

Frequently Asked Questions

What is the IUPAC name of ethane;(5-fluoro-2,4-dimethylphenyl)methanol?
The IUPAC name of ethane;(5-fluoro-2,4-dimethylphenyl)methanol (CID 154686554) is ethane;(5-fluoro-2,4-dimethylphenyl)methanol.
What is the SMILES notation for ethane;(5-fluoro-2,4-dimethylphenyl)methanol?
The canonical SMILES for ethane;(5-fluoro-2,4-dimethylphenyl)methanol is CC.CC.Cc1cc(C)c(CO)cc1F.
What is the InChIKey of ethane;(5-fluoro-2,4-dimethylphenyl)methanol?
The InChIKey is GGJGYULSGZAHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO.2C2H6/c1-6-3-7(2)9(10)4-8(6)5-11;2*1-2/h3-4,11H,5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;(5-fluoro-2,4-dimethylphenyl)methanol?
ethane;(5-fluoro-2,4-dimethylphenyl)methanol has a molecular weight of 214.32 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5-fluoro-2,4-dimethylphenyl)methanol is sourced from PubChem (CID 154686554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).