1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol

C14H19FO — CID 117318601

IUPAC1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol
SMILESCc1ccc(C(C)(C)F)cc1CC1(O)CC1
InChIInChI=1S/C14H19FO/c1-10-4-5-12(13(2,3)15)8-11(10)9-14(16)6-7-14/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyQGOJNYYJQDNYPZ-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.27
Rot. Bonds3

About 1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol

1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol (PubChem CID 117318601) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol
PubChem CID117318601
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol
SMILESCc1ccc(C(C)(C)F)cc1CC1(O)CC1
InChIInChI=1S/C14H19FO/c1-10-4-5-12(13(2,3)15)8-11(10)9-14(16)6-7-14/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyQGOJNYYJQDNYPZ-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[2-chloro-4-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117358896
[5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol
CID 84658586
1-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]cyclopropan-1-ol
CID 117332255
1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117297832
1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-ol
CID 105372690
8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol
CID 114819189
1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol
CID 117302989
1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine
CID 117299446
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339846
1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65085641
4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377676
1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 54958001

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol (CID 117318601) is 1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol is Cc1ccc(C(C)(C)F)cc1CC1(O)CC1.
What is the InChIKey of 1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol?
The InChIKey is QGOJNYYJQDNYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-10-4-5-12(13(2,3)15)8-11(10)9-14(16)6-7-14/h4-5,8,16H,6-7,9H2,1-3H3.
What are the key properties of 1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol?
1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol has a molecular weight of 222.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117318601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).