2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol

C11H15FO3 — CID 105424343

IUPAC2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol
SMILESCOc1cc(C)c(C(F)CO)cc1OC
InChIInChI=1S/C11H15FO3/c1-7-4-10(14-2)11(15-3)5-8(7)9(12)6-13/h4-5,9,13H,6H2,1-3H3
InChIKeyJUDTYDLUKUQSLN-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.02
Rot. Bonds4

About 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol

2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol (PubChem CID 105424343) has the molecular formula C11H15FO3 and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol
PubChem CID105424343
Molecular FormulaC11H15FO3
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Name2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol
SMILESCOc1cc(C)c(C(F)CO)cc1OC
InChIInChI=1S/C11H15FO3/c1-7-4-10(14-2)11(15-3)5-8(7)9(12)6-13/h4-5,9,13H,6H2,1-3H3
InChIKeyJUDTYDLUKUQSLN-UHFFFAOYSA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-2-(4-methoxy-2-methylphenyl)ethanol
CID 105426307
2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde
CID 105465798
2-(cyclopropylamino)-2-(4,5-dimethoxy-2-methylphenyl)ethanol
CID 116859310
1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene
CID 61097408
1-(4,5-dimethoxy-2-methylphenyl)octane-1,8-diol
CID 166530640
2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol
CID 116863696
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758
2-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 82077691
[1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol
CID 116943251
2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol
CID 116942367
1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol
CID 61080760

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol?
The IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol (CID 105424343) is 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol.
What is the SMILES notation for 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol?
The canonical SMILES for 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol is COc1cc(C)c(C(F)CO)cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol?
The InChIKey is JUDTYDLUKUQSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3/c1-7-4-10(14-2)11(15-3)5-8(7)9(12)6-13/h4-5,9,13H,6H2,1-3H3.
What are the key properties of 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol?
2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol has a molecular weight of 214.24 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol is sourced from PubChem (CID 105424343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).