1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol

C12H17FO3 — CID 81304350

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol
SMILESCOc1ccc(C(O)COC(C)C)c(F)c1
InChIInChI=1S/C12H17FO3/c1-8(2)16-7-12(14)10-5-4-9(15-3)6-11(10)13/h4-6,8,12,14H,7H2,1-3H3
InChIKeyKTPBLZSEFDOJRM-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.29
Rot. Bonds5

About 1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol

1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol (PubChem CID 81304350) has the molecular formula C12H17FO3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol
PubChem CID81304350
Molecular FormulaC12H17FO3
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol
SMILESCOc1ccc(C(O)COC(C)C)c(F)c1
InChIInChI=1S/C12H17FO3/c1-8(2)16-7-12(14)10-5-4-9(15-3)6-11(10)13/h4-6,8,12,14H,7H2,1-3H3
InChIKeyKTPBLZSEFDOJRM-UHFFFAOYSA-N
XLogP2.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 81304349
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 105405786
1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473939
2-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-ol
CID 103395382
4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid
CID 43561615
1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817736
4-(2-fluoro-4-methoxyphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297395
1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol
CID 103395386
1-(1-chloro-3-methylbutyl)-2-fluoro-4-methoxybenzene
CID 61083473
(1R,2S)-2-amino-1-cyclopropyl-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 171161417
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol (CID 81304350) is 1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol is COc1ccc(C(O)COC(C)C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol?
The InChIKey is KTPBLZSEFDOJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3/c1-8(2)16-7-12(14)10-5-4-9(15-3)6-11(10)13/h4-6,8,12,14H,7H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol?
1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol has a molecular weight of 228.26 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol is sourced from PubChem (CID 81304350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).