1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol

C13H17FO — CID 117297836

IUPAC1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol
SMILESCc1cc(F)c(C(C)C)cc1C1(O)CC1
InChIInChI=1S/C13H17FO/c1-8(2)10-7-11(13(15)4-5-13)9(3)6-12(10)14/h6-8,15H,4-5H2,1-3H3
InChIKeyLLXLIGUFANHDFU-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.24
Rot. Bonds2

About 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol

1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol (PubChem CID 117297836) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol
PubChem CID117297836
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol
SMILESCc1cc(F)c(C(C)C)cc1C1(O)CC1
InChIInChI=1S/C13H17FO/c1-8(2)10-7-11(13(15)4-5-13)9(3)6-12(10)14/h6-8,15H,4-5H2,1-3H3
InChIKeyLLXLIGUFANHDFU-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-4-fluoro-2-methylphenyl)cyclopropan-1-ol
CID 117289605
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopropan-1-ol
CID 84773917
1-fluoro-4-(1-isocyanatocyclopentyl)-5-methyl-2-propan-2-ylbenzene
CID 117407885
1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol
CID 170145869
ethane;4-fluoro-2-methyl-5-propan-2-ylphenol
CID 145193990
1-[5-(1-fluoroethyl)-2-methylphenyl]cyclopropan-1-ol
CID 117284693
1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol
CID 168788223
1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol
CID 84804882
2-ethyl-4-(1-hydroxycyclopropyl)-5-methylphenol
CID 117283106
1-(3-fluoro-2,5-dimethylphenyl)cyclopropan-1-ol
CID 84768148
1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol
CID 171367784
1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one
CID 117297798

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol (CID 117297836) is 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol is Cc1cc(F)c(C(C)C)cc1C1(O)CC1.
What is the InChIKey of 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol?
The InChIKey is LLXLIGUFANHDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-8(2)10-7-11(13(15)4-5-13)9(3)6-12(10)14/h6-8,15H,4-5H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol?
1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol has a molecular weight of 208.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117297836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).