(2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol

C12H14F2O — CID 82822778

IUPAC(2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol
SMILESCc1ccc(F)c(C(O)C2CC2C)c1F
InChIInChI=1S/C12H14F2O/c1-6-3-4-9(13)10(11(6)14)12(15)8-5-7(8)2/h3-4,7-8,12,15H,5H2,1-2H3
InChIKeyFZDCFBPWHSJHKF-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.96
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol

(2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol (PubChem CID 82822778) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol
PubChem CID82822778
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol
SMILESCc1ccc(F)c(C(O)C2CC2C)c1F
InChIInChI=1S/C12H14F2O/c1-6-3-4-9(13)10(11(6)14)12(15)8-5-7(8)2/h3-4,7-8,12,15H,5H2,1-2H3
InChIKeyFZDCFBPWHSJHKF-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol
CID 107512916
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575615
(2,6-difluoro-3-methylphenyl)-(1,1-dioxothiolan-3-yl)methanol
CID 82823031
(2,6-difluoro-3-methylphenyl)-(2,6-difluorophenyl)methanol
CID 82820156
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
CID 82822455
1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol
CID 115817481
1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol
CID 115814951
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(1S,2R)-2-amino-1-cyclopentyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171264100
(4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82819234
cyclopropyl-(2,3,6-trifluorophenyl)methanol
CID 139965789

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol (CID 82822778) is (2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol is Cc1ccc(F)c(C(O)C2CC2C)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol?
The InChIKey is FZDCFBPWHSJHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-6-3-4-9(13)10(11(6)14)12(15)8-5-7(8)2/h3-4,7-8,12,15H,5H2,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol?
(2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol has a molecular weight of 212.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol is sourced from PubChem (CID 82822778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).