1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol

C11H13FO — CID 84768153

IUPAC1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol
SMILESCc1ccc(F)c(C)c1C1(O)CC1
InChIInChI=1S/C11H13FO/c1-7-3-4-9(12)8(2)10(7)11(13)5-6-11/h3-4,13H,5-6H2,1-2H3
InChIKeyCSEITJKWYNIJJO-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.42
Rot. Bonds1

About 1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol

1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol (PubChem CID 84768153) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol
PubChem CID84768153
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol
SMILESCc1ccc(F)c(C)c1C1(O)CC1
InChIInChI=1S/C11H13FO/c1-7-3-4-9(12)8(2)10(7)11(13)5-6-11/h3-4,13H,5-6H2,1-2H3
InChIKeyCSEITJKWYNIJJO-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-(1-hydroxycyclopropyl)-3-methylphenol
CID 117279111
1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 117289591
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol
CID 84802774
1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine
CID 84779827
1-(3-fluoro-2-methylphenyl)cyclopropan-1-ol
CID 117276386
3-fluoro-2-(1-hydroxycyclopropyl)-4-methylphenol
CID 84768678
4-(2,6-difluoro-3-methylphenyl)-1-propan-2-ylpiperidin-4-ol
CID 82819297
1-(2-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 81477688
4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol
CID 117117396
1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol
CID 117302785
1-(2,6-difluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 84775707
1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol
CID 82820086

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol (CID 84768153) is 1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol is Cc1ccc(F)c(C)c1C1(O)CC1.
What is the InChIKey of 1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol?
The InChIKey is CSEITJKWYNIJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-7-3-4-9(12)8(2)10(7)11(13)5-6-11/h3-4,13H,5-6H2,1-2H3.
What are the key properties of 1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol?
1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol has a molecular weight of 180.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 84768153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).