(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol

C14H19FO — CID 107002536

IUPAC(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol
SMILESCc1cc(C(O)C2CC2(C)C)cc(C)c1F
InChIInChI=1S/C14H19FO/c1-8-5-10(6-9(2)12(8)15)13(16)11-7-14(11,3)4/h5-6,11,13,16H,7H2,1-4H3
InChIKeyAKKWWLSJEHSDHQ-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.52
Rot. Bonds2

About (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol

(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol (PubChem CID 107002536) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol
PubChem CID107002536
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol
SMILESCc1cc(C(O)C2CC2(C)C)cc(C)c1F
InChIInChI=1S/C14H19FO/c1-8-5-10(6-9(2)12(8)15)13(16)11-7-14(11,3)4/h5-6,11,13,16H,7H2,1-4H3
InChIKeyAKKWWLSJEHSDHQ-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 107001276
2-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanol
CID 81100258
(5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol
CID 107005403
(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol
CID 65296637
(3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107192212
1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol
CID 107002520
5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 66476187
(2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 107181845
(2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130024
(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 107005479
(2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol
CID 107005428
(2,2-dimethylcyclopropyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 107002531

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol?
The IUPAC name of (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol (CID 107002536) is (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol is Cc1cc(C(O)C2CC2(C)C)cc(C)c1F.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol?
The InChIKey is AKKWWLSJEHSDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-8-5-10(6-9(2)12(8)15)13(16)11-7-14(11,3)4/h5-6,11,13,16H,7H2,1-4H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol?
(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol has a molecular weight of 222.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol is sourced from PubChem (CID 107002536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).